(3S)-N-(1-methylsulfonylpiperidin-4-yl)piperidine-3-carboxamide

C12H23N3O3S — CID 81123219

IUPAC(3S)-N-(1-methylsulfonylpiperidin-4-yl)piperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCC(NC(=O)[C@H]2CCCNC2)CC1
InChIInChI=1S/C12H23N3O3S/c1-19(17,18)15-7-4-11(5-8-15)14-12(16)10-3-2-6-13-9-10/h10-11,13H,2-9H2,1H3,(H,14,16)/t10-/m0/s1
InChIKeyYNSGFQBYSPZQIN-JTQLQIEISA-N
MW289.40 g/mol
LogP-0.47
Rot. Bonds3

About (3S)-N-(1-methylsulfonylpiperidin-4-yl)piperidine-3-carboxamide

(3S)-N-(1-methylsulfonylpiperidin-4-yl)piperidine-3-carboxamide (PubChem CID 81123219) has the molecular formula C12H23N3O3S and a molecular weight of 289.40 g/mol. Its IUPAC name is (3S)-N-(1-methylsulfonylpiperidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(1-methylsulfonylpiperidin-4-yl)piperidine-3-carboxamide
PubChem CID81123219
Molecular FormulaC12H23N3O3S
Molecular Weight289.40 g/mol
Exact Mass289.15
IUPAC Name(3S)-N-(1-methylsulfonylpiperidin-4-yl)piperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCC(NC(=O)[C@H]2CCCNC2)CC1
InChIInChI=1S/C12H23N3O3S/c1-19(17,18)15-7-4-11(5-8-15)14-12(16)10-3-2-6-13-9-10/h10-11,13H,2-9H2,1H3,(H,14,16)/t10-/m0/s1
InChIKeyYNSGFQBYSPZQIN-JTQLQIEISA-N
XLogP-0.47
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-cyclobutylpiperidine-3-carboxamide
CID 81141296
(3S)-N-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 81124488
N-cycloheptyl-1-methylsulfonylpiperidine-4-carboxamide
CID 774769
N-[1-[(3R)-piperidine-3-carbonyl]piperidin-4-yl]cyclopropanecarboxamide
CID 81129562
N-[1-(piperidine-3-carbonyl)piperidin-4-yl]cyclopropanecarboxamide;hydrochloride
CID 119278114
N-(4-tert-butylcyclohexyl)piperidine-3-carboxamide
CID 140506457
(3R)-N-(3,5-dimethylcyclohexyl)piperidine-3-carboxamide
CID 81134524
N-[3-(methylamino)cyclopentyl]piperidine-3-carboxamide
CID 178010430
(3S)-N-(oxetan-3-yl)piperidine-3-carboxamide
CID 81134235
(3S)-N-cyclopentyl-1-methylsulfonylpiperidine-3-carboxamide
CID 6938499
4-(cyclopentanecarbonylamino)-N-piperidin-3-ylcyclohexane-1-carboxamide;hydrochloride
CID 119427846
(3R)-N-(3,3,5,5-tetramethylcyclohexyl)piperidine-3-carboxamide
CID 103966600

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(1-methylsulfonylpiperidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(1-methylsulfonylpiperidin-4-yl)piperidine-3-carboxamide (CID 81123219) is (3S)-N-(1-methylsulfonylpiperidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(1-methylsulfonylpiperidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(1-methylsulfonylpiperidin-4-yl)piperidine-3-carboxamide is CS(=O)(=O)N1CCC(NC(=O)[C@H]2CCCNC2)CC1.
What is the InChIKey of (3S)-N-(1-methylsulfonylpiperidin-4-yl)piperidine-3-carboxamide?
The InChIKey is YNSGFQBYSPZQIN-JTQLQIEISA-N. The full InChI is InChI=1S/C12H23N3O3S/c1-19(17,18)15-7-4-11(5-8-15)14-12(16)10-3-2-6-13-9-10/h10-11,13H,2-9H2,1H3,(H,14,16)/t10-/m0/s1.
What are the key properties of (3S)-N-(1-methylsulfonylpiperidin-4-yl)piperidine-3-carboxamide?
(3S)-N-(1-methylsulfonylpiperidin-4-yl)piperidine-3-carboxamide has a molecular weight of 289.40 g/mol, XLogP of -0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(1-methylsulfonylpiperidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 81123219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).