(3S)-N-cyclopentyl-1-[2-(dimethylamino)pyridine-3-carbonyl]piperidine-3-sulfonamide

C18H28N4O3S — CID 97348566

IUPAC(3S)-N-cyclopentyl-1-[2-(dimethylamino)pyridine-3-carbonyl]piperidine-3-sulfonamide
SMILESCN(C)c1ncccc1C(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1
InChIInChI=1S/C18H28N4O3S/c1-21(2)17-16(10-5-11-19-17)18(23)22-12-6-9-15(13-22)26(24,25)20-14-7-3-4-8-14/h5,10-11,14-15,20H,3-4,6-9,12-13H2,1-2H3/t15-/m0/s1
InChIKeyISQFSMUTDAPAPY-HNNXBMFYSA-N
MW380.51 g/mol
LogP1.61
Rot. Bonds5

About (3S)-N-cyclopentyl-1-[2-(dimethylamino)pyridine-3-carbonyl]piperidine-3-sulfonamide

(3S)-N-cyclopentyl-1-[2-(dimethylamino)pyridine-3-carbonyl]piperidine-3-sulfonamide (PubChem CID 97348566) has the molecular formula C18H28N4O3S and a molecular weight of 380.51 g/mol. Its IUPAC name is (3S)-N-cyclopentyl-1-[2-(dimethylamino)pyridine-3-carbonyl]piperidine-3-sulfonamide.

Molecular Properties

Compound Name(3S)-N-cyclopentyl-1-[2-(dimethylamino)pyridine-3-carbonyl]piperidine-3-sulfonamide
PubChem CID97348566
Molecular FormulaC18H28N4O3S
Molecular Weight380.51 g/mol
Exact Mass380.19
IUPAC Name(3S)-N-cyclopentyl-1-[2-(dimethylamino)pyridine-3-carbonyl]piperidine-3-sulfonamide
SMILESCN(C)c1ncccc1C(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1
InChIInChI=1S/C18H28N4O3S/c1-21(2)17-16(10-5-11-19-17)18(23)22-12-6-9-15(13-22)26(24,25)20-14-7-3-4-8-14/h5,10-11,14-15,20H,3-4,6-9,12-13H2,1-2H3/t15-/m0/s1
InChIKeyISQFSMUTDAPAPY-HNNXBMFYSA-N
XLogP1.61
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-cyclopentyl-1-[2-(dimethylamino)pyridine-3-carbonyl]piperidine-3-sulfonamide
CID 97348567
N-cyclopentyl-1-[2-(dimethylamino)pyridine-3-carbonyl]azetidine-3-sulfonamide
CID 75476262
(3S)-N-cyclopentyl-1-(pyridine-2-carbonyl)piperidine-3-sulfonamide
CID 97348588
[2-(dimethylamino)-3-pyridinyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110311478
1-(2-chloropyridine-4-carbonyl)-N-cyclopentylpiperidine-3-sulfonamide
CID 75476198
(3S)-3-(cyclopentylsulfamoyl)-N-[2-(dimethylamino)pyrimidin-5-yl]piperidine-1-carboxamide
CID 97348384
[2-(dimethylamino)-3-pyridinyl]-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 94570501
N-cyclopentyl-1-(1,3-thiazole-4-carbonyl)piperidine-3-sulfonamide
CID 75476178
(3R)-N-cyclopentyl-1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-sulfonamide
CID 97348547
(3R)-1-[3-(cyanomethyl)benzoyl]-N-cyclopentylpiperidine-3-sulfonamide
CID 97348457
(3S)-1-[3-(cyanomethyl)benzoyl]-N-cyclopentylpiperidine-3-sulfonamide
CID 97348456
(3S)-N-cyclopentyl-1-(2-methylpropanoyl)piperidine-3-sulfonamide
CID 97348594

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclopentyl-1-[2-(dimethylamino)pyridine-3-carbonyl]piperidine-3-sulfonamide?
The IUPAC name of (3S)-N-cyclopentyl-1-[2-(dimethylamino)pyridine-3-carbonyl]piperidine-3-sulfonamide (CID 97348566) is (3S)-N-cyclopentyl-1-[2-(dimethylamino)pyridine-3-carbonyl]piperidine-3-sulfonamide.
What is the SMILES notation for (3S)-N-cyclopentyl-1-[2-(dimethylamino)pyridine-3-carbonyl]piperidine-3-sulfonamide?
The canonical SMILES for (3S)-N-cyclopentyl-1-[2-(dimethylamino)pyridine-3-carbonyl]piperidine-3-sulfonamide is CN(C)c1ncccc1C(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1.
What is the InChIKey of (3S)-N-cyclopentyl-1-[2-(dimethylamino)pyridine-3-carbonyl]piperidine-3-sulfonamide?
The InChIKey is ISQFSMUTDAPAPY-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H28N4O3S/c1-21(2)17-16(10-5-11-19-17)18(23)22-12-6-9-15(13-22)26(24,25)20-14-7-3-4-8-14/h5,10-11,14-15,20H,3-4,6-9,12-13H2,1-2H3/t15-/m0/s1.
What are the key properties of (3S)-N-cyclopentyl-1-[2-(dimethylamino)pyridine-3-carbonyl]piperidine-3-sulfonamide?
(3S)-N-cyclopentyl-1-[2-(dimethylamino)pyridine-3-carbonyl]piperidine-3-sulfonamide has a molecular weight of 380.51 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cyclopentyl-1-[2-(dimethylamino)pyridine-3-carbonyl]piperidine-3-sulfonamide is sourced from PubChem (CID 97348566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).