(3S)-1-(cyclopentanecarbonyl)-N-methyl-N-(2-pyridin-2-ylethyl)piperidine-3-sulfonamide

C19H29N3O3S — CID 97348237

IUPAC(3S)-1-(cyclopentanecarbonyl)-N-methyl-N-(2-pyridin-2-ylethyl)piperidine-3-sulfonamide
SMILESCN(CCc1ccccn1)S(=O)(=O)[C@H]1CCCN(C(=O)C2CCCC2)C1
InChIInChI=1S/C19H29N3O3S/c1-21(14-11-17-9-4-5-12-20-17)26(24,25)18-10-6-13-22(15-18)19(23)16-7-2-3-8-16/h4-5,9,12,16,18H,2-3,6-8,10-11,13-15H2,1H3/t18-/m0/s1
InChIKeyIYIIUCANHCFYEM-SFHVURJKSA-N
MW379.53 g/mol
LogP2.07
Rot. Bonds6

About (3S)-1-(cyclopentanecarbonyl)-N-methyl-N-(2-pyridin-2-ylethyl)piperidine-3-sulfonamide

(3S)-1-(cyclopentanecarbonyl)-N-methyl-N-(2-pyridin-2-ylethyl)piperidine-3-sulfonamide (PubChem CID 97348237) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is (3S)-1-(cyclopentanecarbonyl)-N-methyl-N-(2-pyridin-2-ylethyl)piperidine-3-sulfonamide.

Molecular Properties

Compound Name(3S)-1-(cyclopentanecarbonyl)-N-methyl-N-(2-pyridin-2-ylethyl)piperidine-3-sulfonamide
PubChem CID97348237
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC Name(3S)-1-(cyclopentanecarbonyl)-N-methyl-N-(2-pyridin-2-ylethyl)piperidine-3-sulfonamide
SMILESCN(CCc1ccccn1)S(=O)(=O)[C@H]1CCCN(C(=O)C2CCCC2)C1
InChIInChI=1S/C19H29N3O3S/c1-21(14-11-17-9-4-5-12-20-17)26(24,25)18-10-6-13-22(15-18)19(23)16-7-2-3-8-16/h4-5,9,12,16,18H,2-3,6-8,10-11,13-15H2,1H3/t18-/m0/s1
InChIKeyIYIIUCANHCFYEM-SFHVURJKSA-N
XLogP2.07
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[(6-chloro-3-pyridinyl)methyl]-1-(cyclopentanecarbonyl)-N-methylpiperidine-3-sulfonamide
CID 97348392
2-[1-(cyclobutanecarbonyl)-3-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]piperidin-4-yl]acetic acid
CID 74418927
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3-pyridin-2-ylpropan-1-one
CID 136534066
(3S)-1-(cyclopentanecarbonyl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-3-sulfonamide
CID 97348227
N-tert-butyl-2-[[(3S)-1-(cyclopentanecarbonyl)piperidin-3-yl]sulfonyl-methylamino]acetamide
CID 97348337
1-N,1-N-dimethyl-3-N-(2-pyridin-2-ylethyl)piperidine-1,3-dicarboxamide
CID 47028685
azepan-1-yl-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone
CID 5116844
3-(4-cyclopentylsulfonylphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea
CID 86988743
3-pyridin-2-yl-1-pyrrolidin-1-ylpropan-1-one
CID 84583378
oxan-4-yl-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 95845794
1-[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]-3-pyridin-2-ylpropan-1-one
CID 129005727
1-[(4S)-4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]-3-pyridin-2-ylpropan-1-one
CID 129473864

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(cyclopentanecarbonyl)-N-methyl-N-(2-pyridin-2-ylethyl)piperidine-3-sulfonamide?
The IUPAC name of (3S)-1-(cyclopentanecarbonyl)-N-methyl-N-(2-pyridin-2-ylethyl)piperidine-3-sulfonamide (CID 97348237) is (3S)-1-(cyclopentanecarbonyl)-N-methyl-N-(2-pyridin-2-ylethyl)piperidine-3-sulfonamide.
What is the SMILES notation for (3S)-1-(cyclopentanecarbonyl)-N-methyl-N-(2-pyridin-2-ylethyl)piperidine-3-sulfonamide?
The canonical SMILES for (3S)-1-(cyclopentanecarbonyl)-N-methyl-N-(2-pyridin-2-ylethyl)piperidine-3-sulfonamide is CN(CCc1ccccn1)S(=O)(=O)[C@H]1CCCN(C(=O)C2CCCC2)C1.
What is the InChIKey of (3S)-1-(cyclopentanecarbonyl)-N-methyl-N-(2-pyridin-2-ylethyl)piperidine-3-sulfonamide?
The InChIKey is IYIIUCANHCFYEM-SFHVURJKSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-21(14-11-17-9-4-5-12-20-17)26(24,25)18-10-6-13-22(15-18)19(23)16-7-2-3-8-16/h4-5,9,12,16,18H,2-3,6-8,10-11,13-15H2,1H3/t18-/m0/s1.
What are the key properties of (3S)-1-(cyclopentanecarbonyl)-N-methyl-N-(2-pyridin-2-ylethyl)piperidine-3-sulfonamide?
(3S)-1-(cyclopentanecarbonyl)-N-methyl-N-(2-pyridin-2-ylethyl)piperidine-3-sulfonamide has a molecular weight of 379.53 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(cyclopentanecarbonyl)-N-methyl-N-(2-pyridin-2-ylethyl)piperidine-3-sulfonamide is sourced from PubChem (CID 97348237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).