(3S)-N-[2-(3-methylpyrazol-1-yl)phenyl]-3-sulfamoylpiperidine-1-carboxamide

C16H21N5O3S — CID 97257450

IUPAC(3S)-N-[2-(3-methylpyrazol-1-yl)phenyl]-3-sulfamoylpiperidine-1-carboxamide
SMILESCc1ccn(-c2ccccc2NC(=O)N2CCC[C@H](S(N)(=O)=O)C2)n1
InChIInChI=1S/C16H21N5O3S/c1-12-8-10-21(19-12)15-7-3-2-6-14(15)18-16(22)20-9-4-5-13(11-20)25(17,23)24/h2-3,6-8,10,13H,4-5,9,11H2,1H3,(H,18,22)(H2,17,23,24)/t13-/m0/s1
InChIKeyPFVSIUHVQZEHOC-ZDUSSCGKSA-N
MW363.44 g/mol
LogP1.47
Rot. Bonds3

About (3S)-N-[2-(3-methylpyrazol-1-yl)phenyl]-3-sulfamoylpiperidine-1-carboxamide

(3S)-N-[2-(3-methylpyrazol-1-yl)phenyl]-3-sulfamoylpiperidine-1-carboxamide (PubChem CID 97257450) has the molecular formula C16H21N5O3S and a molecular weight of 363.44 g/mol. Its IUPAC name is (3S)-N-[2-(3-methylpyrazol-1-yl)phenyl]-3-sulfamoylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(3-methylpyrazol-1-yl)phenyl]-3-sulfamoylpiperidine-1-carboxamide
PubChem CID97257450
Molecular FormulaC16H21N5O3S
Molecular Weight363.44 g/mol
Exact Mass363.14
IUPAC Name(3S)-N-[2-(3-methylpyrazol-1-yl)phenyl]-3-sulfamoylpiperidine-1-carboxamide
SMILESCc1ccn(-c2ccccc2NC(=O)N2CCC[C@H](S(N)(=O)=O)C2)n1
InChIInChI=1S/C16H21N5O3S/c1-12-8-10-21(19-12)15-7-3-2-6-14(15)18-16(22)20-9-4-5-13(11-20)25(17,23)24/h2-3,6-8,10,13H,4-5,9,11H2,1H3,(H,18,22)(H2,17,23,24)/t13-/m0/s1
InChIKeyPFVSIUHVQZEHOC-ZDUSSCGKSA-N
XLogP1.47
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3-methylpyrazol-1-yl)anilino]-1-piperidin-1-ylethanone
CID 154778909
ethyl (3S)-1-[(2-pyrazol-1-ylphenyl)carbamoyl]piperidine-3-carboxylate
CID 122145844
1-(1-methylpiperidin-4-yl)-3-[2-(3-methylpyrazol-1-yl)phenyl]urea
CID 136514705
N-[2-(3-methylpyrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 119341252
4-amino-N-[2-(3-methylpyrazol-1-yl)phenyl]pentanamide;hydrochloride
CID 120563814
N-(3,5-dichlorophenyl)-3-sulfamoylpiperidine-1-carboxamide
CID 103858615
1-(2,6-dimethylpyridine-3-carbonyl)piperidine-3-sulfonamide
CID 62830617
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2,5-dimethylpyrazol-3-yl)piperidine-1-carboxamide
CID 75473861
1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidine-3-sulfonamide
CID 167985818
1-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122087078
1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-3-sulfonamide
CID 64867620
1-(2-phenylsulfanylacetyl)piperidine-3-sulfonamide
CID 79001409

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(3-methylpyrazol-1-yl)phenyl]-3-sulfamoylpiperidine-1-carboxamide?
The IUPAC name of (3S)-N-[2-(3-methylpyrazol-1-yl)phenyl]-3-sulfamoylpiperidine-1-carboxamide (CID 97257450) is (3S)-N-[2-(3-methylpyrazol-1-yl)phenyl]-3-sulfamoylpiperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[2-(3-methylpyrazol-1-yl)phenyl]-3-sulfamoylpiperidine-1-carboxamide?
The canonical SMILES for (3S)-N-[2-(3-methylpyrazol-1-yl)phenyl]-3-sulfamoylpiperidine-1-carboxamide is Cc1ccn(-c2ccccc2NC(=O)N2CCC[C@H](S(N)(=O)=O)C2)n1.
What is the InChIKey of (3S)-N-[2-(3-methylpyrazol-1-yl)phenyl]-3-sulfamoylpiperidine-1-carboxamide?
The InChIKey is PFVSIUHVQZEHOC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21N5O3S/c1-12-8-10-21(19-12)15-7-3-2-6-14(15)18-16(22)20-9-4-5-13(11-20)25(17,23)24/h2-3,6-8,10,13H,4-5,9,11H2,1H3,(H,18,22)(H2,17,23,24)/t13-/m0/s1.
What are the key properties of (3S)-N-[2-(3-methylpyrazol-1-yl)phenyl]-3-sulfamoylpiperidine-1-carboxamide?
(3S)-N-[2-(3-methylpyrazol-1-yl)phenyl]-3-sulfamoylpiperidine-1-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(3-methylpyrazol-1-yl)phenyl]-3-sulfamoylpiperidine-1-carboxamide is sourced from PubChem (CID 97257450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).