[1-(2,5-dimethylphenyl)sulfonylcyclopentyl]-(3-methylpiperidin-1-yl)methanone

C20H29NO3S — CID 51340161

IUPAC[1-(2,5-dimethylphenyl)sulfonylcyclopentyl]-(3-methylpiperidin-1-yl)methanone
SMILESCc1ccc(C)c(S(=O)(=O)C2(C(=O)N3CCCC(C)C3)CCCC2)c1
InChIInChI=1S/C20H29NO3S/c1-15-8-9-17(3)18(13-15)25(23,24)20(10-4-5-11-20)19(22)21-12-6-7-16(2)14-21/h8-9,13,16H,4-7,10-12,14H2,1-3H3
InChIKeyJIHIVHBVYNVVJF-UHFFFAOYSA-N
MW363.52 g/mol
LogP3.65
Rot. Bonds3

About [1-(2,5-dimethylphenyl)sulfonylcyclopentyl]-(3-methylpiperidin-1-yl)methanone

[1-(2,5-dimethylphenyl)sulfonylcyclopentyl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 51340161) has the molecular formula C20H29NO3S and a molecular weight of 363.52 g/mol. Its IUPAC name is [1-(2,5-dimethylphenyl)sulfonylcyclopentyl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(2,5-dimethylphenyl)sulfonylcyclopentyl]-(3-methylpiperidin-1-yl)methanone
PubChem CID51340161
Molecular FormulaC20H29NO3S
Molecular Weight363.52 g/mol
Exact Mass363.19
IUPAC Name[1-(2,5-dimethylphenyl)sulfonylcyclopentyl]-(3-methylpiperidin-1-yl)methanone
SMILESCc1ccc(C)c(S(=O)(=O)C2(C(=O)N3CCCC(C)C3)CCCC2)c1
InChIInChI=1S/C20H29NO3S/c1-15-8-9-17(3)18(13-15)25(23,24)20(10-4-5-11-20)19(22)21-12-6-7-16(2)14-21/h8-9,13,16H,4-7,10-12,14H2,1-3H3
InChIKeyJIHIVHBVYNVVJF-UHFFFAOYSA-N
XLogP3.65
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.52
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,5-dimethylphenyl)sulfonylcyclopentyl]-piperidin-1-ylmethanone
CID 56807459
[1-[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 55527235
[1-(2,5-dimethylphenyl)sulfonylcyclopentyl]-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124612732
[1-(2,5-dimethylphenyl)sulfonylcyclopentyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119560891
2-[1-[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 55780972
[4-(1-aminoethyl)piperidin-1-yl]-[1-(2,5-dimethylphenyl)sulfonylcyclopentyl]methanone
CID 119517880
N-[1-[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]piperidin-4-yl]-2-methylbenzamide
CID 39511914
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[1-(2,5-dimethylphenyl)sulfonylcyclopentyl]methanone
CID 55465847
4-[[4-[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]-1,4-diazepan-1-yl]methyl]benzonitrile
CID 55469335
[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate
CID 36753714
1-(2,5-dimethylphenyl)sulfonyl-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 46586522
N-(2-aminoethyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride
CID 119382972

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dimethylphenyl)sulfonylcyclopentyl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [1-(2,5-dimethylphenyl)sulfonylcyclopentyl]-(3-methylpiperidin-1-yl)methanone (CID 51340161) is [1-(2,5-dimethylphenyl)sulfonylcyclopentyl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-(2,5-dimethylphenyl)sulfonylcyclopentyl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [1-(2,5-dimethylphenyl)sulfonylcyclopentyl]-(3-methylpiperidin-1-yl)methanone is Cc1ccc(C)c(S(=O)(=O)C2(C(=O)N3CCCC(C)C3)CCCC2)c1.
What is the InChIKey of [1-(2,5-dimethylphenyl)sulfonylcyclopentyl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is JIHIVHBVYNVVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO3S/c1-15-8-9-17(3)18(13-15)25(23,24)20(10-4-5-11-20)19(22)21-12-6-7-16(2)14-21/h8-9,13,16H,4-7,10-12,14H2,1-3H3.
What are the key properties of [1-(2,5-dimethylphenyl)sulfonylcyclopentyl]-(3-methylpiperidin-1-yl)methanone?
[1-(2,5-dimethylphenyl)sulfonylcyclopentyl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 363.52 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-dimethylphenyl)sulfonylcyclopentyl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 51340161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).