(3R)-N-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide

C12H17N3O3S — CID 95828955

IUPAC(3R)-N-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccnc2)C1
InChIInChI=1S/C12H17N3O3S/c1-13-12(16)10-4-3-7-15(9-10)19(17,18)11-5-2-6-14-8-11/h2,5-6,8,10H,3-4,7,9H2,1H3,(H,13,16)/t10-/m1/s1
InChIKeyOZBQUUHOCLAMRH-SNVBAGLBSA-N
MW283.35 g/mol
LogP0.23
Rot. Bonds3

About (3R)-N-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide

(3R)-N-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide (PubChem CID 95828955) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is (3R)-N-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
PubChem CID95828955
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name(3R)-N-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccnc2)C1
InChIInChI=1S/C12H17N3O3S/c1-13-12(16)10-4-3-7-15(9-10)19(17,18)11-5-2-6-14-8-11/h2,5-6,8,10H,3-4,7,9H2,1H3,(H,13,16)/t10-/m1/s1
InChIKeyOZBQUUHOCLAMRH-SNVBAGLBSA-N
XLogP0.23
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 63253265
N-[(4-methylphenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 3244935
N-[(4-fluorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 3242560
N-(3-fluorophenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 20855555
N-[2-(4-chlorophenyl)ethyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 122175043
1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 47140984
N-(2,5-diethoxyphenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 5307299
1-pyridin-3-ylsulfonylpiperidin-3-amine;dihydrochloride
CID 165437566
(3R)-1-(4-methoxyphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 1081627
N-[(1-pyridin-3-ylsulfonylpiperidin-3-yl)methyl]propan-1-amine
CID 63879976
3-(3-isocyanatopiperidin-1-yl)sulfonylpyridine
CID 24706355
(3S)-1-(3-chloro-4-methylphenyl)sulfonyl-N-pyridin-3-ylpiperidine-3-carboxamide
CID 1456875

Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide (CID 95828955) is (3R)-N-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide is CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccnc2)C1.
What is the InChIKey of (3R)-N-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is OZBQUUHOCLAMRH-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-13-12(16)10-4-3-7-15(9-10)19(17,18)11-5-2-6-14-8-11/h2,5-6,8,10H,3-4,7,9H2,1H3,(H,13,16)/t10-/m1/s1.
What are the key properties of (3R)-N-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide?
(3R)-N-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 283.35 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 95828955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).