(3S)-N-(benzenesulfonyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide

C16H18N4O3S — CID 94185832

IUPAC(3S)-N-(benzenesulfonyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1)[C@H]1CCCN(c2ncccn2)C1
InChIInChI=1S/C16H18N4O3S/c21-15(19-24(22,23)14-7-2-1-3-8-14)13-6-4-11-20(12-13)16-17-9-5-10-18-16/h1-3,5,7-10,13H,4,6,11-12H2,(H,19,21)/t13-/m0/s1
InChIKeyJXTPSKKRDYKBOU-ZDUSSCGKSA-N
MW346.41 g/mol
LogP1.20
Rot. Bonds4

About (3S)-N-(benzenesulfonyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide

(3S)-N-(benzenesulfonyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide (PubChem CID 94185832) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is (3S)-N-(benzenesulfonyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(benzenesulfonyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
PubChem CID94185832
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC Name(3S)-N-(benzenesulfonyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1)[C@H]1CCCN(c2ncccn2)C1
InChIInChI=1S/C16H18N4O3S/c21-15(19-24(22,23)14-7-2-1-3-8-14)13-6-4-11-20(12-13)16-17-9-5-10-18-16/h1-3,5,7-10,13H,4,6,11-12H2,(H,19,21)/t13-/m0/s1
InChIKeyJXTPSKKRDYKBOU-ZDUSSCGKSA-N
XLogP1.20
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-phenyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51443831
N-(benzenesulfonyl)-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 166232544
1-pyrimidin-2-ylpiperidine-3-carboxylic acid;hydrochloride
CID 45075103
(3R)-N-cyclopropyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 6557829
N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3221429
(3S)-N-cycloheptyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452540
N-(2-piperidin-1-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 55557554
(3S)-N-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 25352704
(3R)-1-pyrimidin-2-yl-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 40599471
(3R)-N-[(2S)-butan-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 7435435
(3R)-N-[(1R,2R)-2-methylcyclohexyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 7435438
(3S)-N-(1-hydroxy-2-methylpropan-2-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 96557652

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(benzenesulfonyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-(benzenesulfonyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide (CID 94185832) is (3S)-N-(benzenesulfonyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(benzenesulfonyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(benzenesulfonyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide is O=C(NS(=O)(=O)c1ccccc1)[C@H]1CCCN(c2ncccn2)C1.
What is the InChIKey of (3S)-N-(benzenesulfonyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The InChIKey is JXTPSKKRDYKBOU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18N4O3S/c21-15(19-24(22,23)14-7-2-1-3-8-14)13-6-4-11-20(12-13)16-17-9-5-10-18-16/h1-3,5,7-10,13H,4,6,11-12H2,(H,19,21)/t13-/m0/s1.
What are the key properties of (3S)-N-(benzenesulfonyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
(3S)-N-(benzenesulfonyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(benzenesulfonyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 94185832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).