5-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2-butoxypyridine;1-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-phenoxybenzene;1-[4-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]piperidine;1-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-3-propoxybenzene;3-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]quinoline

C115H177N3O13S5 — CID 162026489

IUPAC5-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2-butoxypyridine;1-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-phenoxybenzene;1-[4-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]piperidine;1-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-3-propoxybenzene;3-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]quinoline
SMILESCCC(C)S(=O)(=O)CC1CCC(CCc2ccc(N3CCCCC3)cc2)CC1.CCC(C)S(=O)(=O)CC1CCC(CCc2ccc(Oc3ccccc3)cc2)CC1.CCC(C)S(=O)(=O)CC1CCC(CCc2cnc3ccccc3c2)CC1.CCCCOc1ccc(CCC2CCC(CS(=O)(=O)C(C)CC)CC2)cn1.CCCOc1cccc(CCC2CCC(CS(=O)(=O)C(C)CC)CC2)c1
InChIInChI=1S/C25H34O3S.C24H39NO2S.C22H37NO3S.C22H31NO2S.C22H36O3S/c1-3-20(2)29(26,27)19-23-13-11-21(12-14-23)9-10-22-15-17-25(18-16-22)28-24-7-5-4-6-8-24;1-3-20(2)28(26,27)19-23-11-9-21(10-12-23)7-8-22-13-15-24(16-14-22)25-17-5-4-6-18-25;1-4-6-15-26-22-14-13-20(16-23-22)10-7-19-8-11-21(12-9-19)17-27(24,25)18(3)5-2;1-3-17(2)26(24,25)16-19-11-8-18(9-12-19)10-13-20-14-21-6-4-5-7-22(21)23-15-20;1-4-15-25-22-8-6-7-20(16-22)12-9-19-10-13-21(14-11-19)17-26(23,24)18(3)5-2/h4-8,15-18,20-21,23H,3,9-14,19H2,1-2H3;13-16,20-21,23H,3-12,17-19H2,1-2H3;13-14,16,18-19,21H,4-12,15,17H2,1-3H3;4-7,14-15,17-19H,3,8-13,16H2,1-2H3;6-8,16,18-19,21H,4-5,9-15,17H2,1-3H3
InChIKeyYVLCLKWUSXTLPU-UHFFFAOYSA-N
MW1970.02 g/mol
LogP27.89
Rot. Bonds45

About 5-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2-butoxypyridine;1-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-phenoxybenzene;1-[4-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]piperidine;1-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-3-propoxybenzene;3-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]quinoline

5-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2-butoxypyridine;1-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-phenoxybenzene;1-[4-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]piperidine;1-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-3-propoxybenzene;3-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]quinoline (PubChem CID 162026489) has the molecular formula C115H177N3O13S5 and a molecular weight of 1970.02 g/mol. Its IUPAC name is 5-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2-butoxypyridine;1-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-phenoxybenzene;1-[4-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]piperidine;1-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-3-propoxybenzene;3-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]quinoline.

Molecular Properties

Compound Name5-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2-butoxypyridine;1-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-phenoxybenzene;1-[4-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]piperidine;1-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-3-propoxybenzene;3-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]quinoline
PubChem CID162026489
Molecular FormulaC115H177N3O13S5
Molecular Weight1970.02 g/mol
Exact Mass1968.19
IUPAC Name5-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2-butoxypyridine;1-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-phenoxybenzene;1-[4-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]piperidine;1-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-3-propoxybenzene;3-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]quinoline
SMILESCCC(C)S(=O)(=O)CC1CCC(CCc2ccc(N3CCCCC3)cc2)CC1.CCC(C)S(=O)(=O)CC1CCC(CCc2ccc(Oc3ccccc3)cc2)CC1.CCC(C)S(=O)(=O)CC1CCC(CCc2cnc3ccccc3c2)CC1.CCCCOc1ccc(CCC2CCC(CS(=O)(=O)C(C)CC)CC2)cn1.CCCOc1cccc(CCC2CCC(CS(=O)(=O)C(C)CC)CC2)c1
InChIInChI=1S/C25H34O3S.C24H39NO2S.C22H37NO3S.C22H31NO2S.C22H36O3S/c1-3-20(2)29(26,27)19-23-13-11-21(12-14-23)9-10-22-15-17-25(18-16-22)28-24-7-5-4-6-8-24;1-3-20(2)28(26,27)19-23-11-9-21(10-12-23)7-8-22-13-15-24(16-14-22)25-17-5-4-6-18-25;1-4-6-15-26-22-14-13-20(16-23-22)10-7-19-8-11-21(12-9-19)17-27(24,25)18(3)5-2;1-3-17(2)26(24,25)16-19-11-8-18(9-12-19)10-13-20-14-21-6-4-5-7-22(21)23-15-20;1-4-15-25-22-8-6-7-20(16-22)12-9-19-10-13-21(14-11-19)17-26(23,24)18(3)5-2/h4-8,15-18,20-21,23H,3,9-14,19H2,1-2H3;13-16,20-21,23H,3-12,17-19H2,1-2H3;13-14,16,18-19,21H,4-12,15,17H2,1-3H3;4-7,14-15,17-19H,3,8-13,16H2,1-2H3;6-8,16,18-19,21H,4-5,9-15,17H2,1-3H3
InChIKeyYVLCLKWUSXTLPU-UHFFFAOYSA-N
XLogP27.89
TPSA227.41 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds45
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001970.02
LogP ≤ 527.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2-butoxypyridine;1-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-phenoxybenzene;1-[4-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]piperidine;1-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-3-propoxybenzene;3-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]quinoline with MolForge

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Related Compounds

N-(4-acetylphenyl)-4-(butan-2-ylsulfonylamino)cyclohexane-1-carboxamide;4-(butan-2-ylsulfonylamino)-N-(6-butoxy-3-pyridinyl)cyclohexane-1-carboxamide;4-(butan-2-ylsulfonylamino)-N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]cyclohexane-1-carboxamide;4-(butan-2-ylsulfonylamino)-N-[(3-ethoxyphenyl)methyl]cyclohexane-1-carboxamide;4-(butan-2-ylsulfonylamino)-N-(4-phenoxyphenyl)cyclohexane-1-carboxamide;4-(butan-2-ylsulfonylamino)-N-(4-piperidin-1-ylphenyl)cyclohexane-1-carboxamide;4-(butan-2-ylsulfonylamino)-N-(3-propoxyphenyl)cyclohexane-1-carboxamide;4-(butan-2-ylsulfonylamino)-N-[(4-propoxyphenyl)methyl]cyclohexane-1-carboxamide;4-(butan-2-ylsulfonylamino)-N-quinolin-3-ylcyclohexane-1-carboxamide;4-(butan-2-ylsulfonylamino)-N-quinolin-6-ylcyclohexane-1-carboxamide
CID 162154070
1-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]-2-quinolin-3-ylethanone
CID 58145116
1-phenoxy-3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene
CID 161260281
1-butoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene
CID 59545229
2-[3-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2-methoxyphenyl]-N,N-dimethylacetamide;1-butoxy-3-[3-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]propyl]benzene;1-ethoxy-3-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethoxymethyl]benzene;1-[4-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-3,6-dihydro-2H-pyridine;(NE)-N-[1-[3-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]ethylidene]hydroxylamine;methyl 2-[3-[4-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]butyl]phenyl]acetate;2-methyl-6-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]quinoline
CID 172928634
2-[4-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]piperazin-1-yl]pyrimidine
CID 158496312
3-(3-cyclohexylpropyl)benzoic acid;1-(3-cyclohexylpropyl)-3-propoxybenzene
CID 91254679
1-(2-cyclopropylethyl)-4-(3-propoxyphenyl)benzene
CID 166443409
2-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]-5-propoxypyrimidine
CID 19839720
1-(2-cyclopentylethyl)-3-phenoxybenzene
CID 91806427
3-[4-(3-ethoxyphenoxy)butyl]quinoline
CID 173263735
2-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]-5-propoxypyrimidine
CID 19839593

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2-butoxypyridine;1-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-phenoxybenzene;1-[4-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]piperidine;1-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-3-propoxybenzene;3-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]quinoline?
The IUPAC name of 5-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2-butoxypyridine;1-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-phenoxybenzene;1-[4-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]piperidine;1-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-3-propoxybenzene;3-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]quinoline (CID 162026489) is 5-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2-butoxypyridine;1-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-phenoxybenzene;1-[4-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]piperidine;1-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-3-propoxybenzene;3-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]quinoline.
What is the SMILES notation for 5-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2-butoxypyridine;1-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-phenoxybenzene;1-[4-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]piperidine;1-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-3-propoxybenzene;3-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]quinoline?
The canonical SMILES for 5-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2-butoxypyridine;1-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-phenoxybenzene;1-[4-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]piperidine;1-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-3-propoxybenzene;3-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]quinoline is CCC(C)S(=O)(=O)CC1CCC(CCc2ccc(N3CCCCC3)cc2)CC1.CCC(C)S(=O)(=O)CC1CCC(CCc2ccc(Oc3ccccc3)cc2)CC1.CCC(C)S(=O)(=O)CC1CCC(CCc2cnc3ccccc3c2)CC1.CCCCOc1ccc(CCC2CCC(CS(=O)(=O)C(C)CC)CC2)cn1.CCCOc1cccc(CCC2CCC(CS(=O)(=O)C(C)CC)CC2)c1.
What is the InChIKey of 5-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2-butoxypyridine;1-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-phenoxybenzene;1-[4-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]piperidine;1-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-3-propoxybenzene;3-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]quinoline?
The InChIKey is YVLCLKWUSXTLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34O3S.C24H39NO2S.C22H37NO3S.C22H31NO2S.C22H36O3S/c1-3-20(2)29(26,27)19-23-13-11-21(12-14-23)9-10-22-15-17-25(18-16-22)28-24-7-5-4-6-8-24;1-3-20(2)28(26,27)19-23-11-9-21(10-12-23)7-8-22-13-15-24(16-14-22)25-17-5-4-6-18-25;1-4-6-15-26-22-14-13-20(16-23-22)10-7-19-8-11-21(12-9-19)17-27(24,25)18(3)5-2;1-3-17(2)26(24,25)16-19-11-8-18(9-12-19)10-13-20-14-21-6-4-5-7-22(21)23-15-20;1-4-15-25-22-8-6-7-20(16-22)12-9-19-10-13-21(14-11-19)17-26(23,24)18(3)5-2/h4-8,15-18,20-21,23H,3,9-14,19H2,1-2H3;13-16,20-21,23H,3-12,17-19H2,1-2H3;13-14,16,18-19,21H,4-12,15,17H2,1-3H3;4-7,14-15,17-19H,3,8-13,16H2,1-2H3;6-8,16,18-19,21H,4-5,9-15,17H2,1-3H3.
What are the key properties of 5-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2-butoxypyridine;1-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-phenoxybenzene;1-[4-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]piperidine;1-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-3-propoxybenzene;3-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]quinoline?
5-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2-butoxypyridine;1-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-phenoxybenzene;1-[4-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]piperidine;1-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-3-propoxybenzene;3-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]quinoline has a molecular weight of 1970.02 g/mol, XLogP of 27.89, 45 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2-butoxypyridine;1-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-phenoxybenzene;1-[4-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]piperidine;1-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-3-propoxybenzene;3-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]quinoline is sourced from PubChem (CID 162026489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).