N-[[1-(4-phenylpiperazin-1-yl)cyclohexyl]methyl]ethanesulfonamide

C19H31N3O2S — CID 112505124

IUPACN-[[1-(4-phenylpiperazin-1-yl)cyclohexyl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1(N2CCN(c3ccccc3)CC2)CCCCC1
InChIInChI=1S/C19H31N3O2S/c1-2-25(23,24)20-17-19(11-7-4-8-12-19)22-15-13-21(14-16-22)18-9-5-3-6-10-18/h3,5-6,9-10,20H,2,4,7-8,11-17H2,1H3
InChIKeyHVUBDJRALKABPT-UHFFFAOYSA-N
MW365.54 g/mol
LogP2.45
Rot. Bonds6

About N-[[1-(4-phenylpiperazin-1-yl)cyclohexyl]methyl]ethanesulfonamide

N-[[1-(4-phenylpiperazin-1-yl)cyclohexyl]methyl]ethanesulfonamide (PubChem CID 112505124) has the molecular formula C19H31N3O2S and a molecular weight of 365.54 g/mol. Its IUPAC name is N-[[1-(4-phenylpiperazin-1-yl)cyclohexyl]methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[[1-(4-phenylpiperazin-1-yl)cyclohexyl]methyl]ethanesulfonamide
PubChem CID112505124
Molecular FormulaC19H31N3O2S
Molecular Weight365.54 g/mol
Exact Mass365.21
IUPAC NameN-[[1-(4-phenylpiperazin-1-yl)cyclohexyl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1(N2CCN(c3ccccc3)CC2)CCCCC1
InChIInChI=1S/C19H31N3O2S/c1-2-25(23,24)20-17-19(11-7-4-8-12-19)22-15-13-21(14-16-22)18-9-5-3-6-10-18/h3,5-6,9-10,20H,2,4,7-8,11-17H2,1H3
InChIKeyHVUBDJRALKABPT-UHFFFAOYSA-N
XLogP2.45
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.54
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-N-[(1-pyrrolidin-1-ylcyclopentyl)methylsulfamoyl]methanamine
CID 56892831
N-[(1-phenylcyclobutyl)methyl]ethanesulfonamide
CID 113090928
1,5-dimethyl-2-phenyl-4-[[(1-piperidin-1-ylcyclohexyl)methylamino]methyl]pyrazol-3-one
CID 119110847
N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-phenylpropane-1-sulfonamide
CID 112505103
4-piperidin-1-yl-N-[(1-pyrrolidin-1-ylcyclopentyl)methyl]benzamide
CID 91760256
[4-(4-phenylpiperazin-1-yl)oxan-4-yl]methanamine
CID 43608688
4-chloro-1-(oxetan-3-yl)-N-[[1-(4-phenylpiperazin-1-yl)cyclohexyl]methyl]indole-3-carboxamide
CID 121393311
1-[2-(ethylsulfonylamino)ethyl]-2-methyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine;hydroiodide
CID 111003466
5-(ethylsulfonylamino)-2-(4-phenylpiperazin-1-yl)benzoic acid
CID 50766285
1-(benzenesulfonyl)-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]piperidine-4-carboxamide;dihydrochloride
CID 45370708
[5-methyl-3-(4-phenylpiperazin-1-yl)thiolan-3-yl]methanamine
CID 79950571
4-(4-methylpiperidin-1-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
CID 46951890

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-phenylpiperazin-1-yl)cyclohexyl]methyl]ethanesulfonamide?
The IUPAC name of N-[[1-(4-phenylpiperazin-1-yl)cyclohexyl]methyl]ethanesulfonamide (CID 112505124) is N-[[1-(4-phenylpiperazin-1-yl)cyclohexyl]methyl]ethanesulfonamide.
What is the SMILES notation for N-[[1-(4-phenylpiperazin-1-yl)cyclohexyl]methyl]ethanesulfonamide?
The canonical SMILES for N-[[1-(4-phenylpiperazin-1-yl)cyclohexyl]methyl]ethanesulfonamide is CCS(=O)(=O)NCC1(N2CCN(c3ccccc3)CC2)CCCCC1.
What is the InChIKey of N-[[1-(4-phenylpiperazin-1-yl)cyclohexyl]methyl]ethanesulfonamide?
The InChIKey is HVUBDJRALKABPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2S/c1-2-25(23,24)20-17-19(11-7-4-8-12-19)22-15-13-21(14-16-22)18-9-5-3-6-10-18/h3,5-6,9-10,20H,2,4,7-8,11-17H2,1H3.
What are the key properties of N-[[1-(4-phenylpiperazin-1-yl)cyclohexyl]methyl]ethanesulfonamide?
N-[[1-(4-phenylpiperazin-1-yl)cyclohexyl]methyl]ethanesulfonamide has a molecular weight of 365.54 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-phenylpiperazin-1-yl)cyclohexyl]methyl]ethanesulfonamide is sourced from PubChem (CID 112505124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).