1-(benzenesulfonyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide

C17H21N3O3S2 — CID 86825596

IUPAC1-(benzenesulfonyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide
SMILESCc1ncc(CNC(=O)C2CCCN(S(=O)(=O)c3ccccc3)C2)s1
InChIInChI=1S/C17H21N3O3S2/c1-13-18-10-15(24-13)11-19-17(21)14-6-5-9-20(12-14)25(22,23)16-7-3-2-4-8-16/h2-4,7-8,10,14H,5-6,9,11-12H2,1H3,(H,19,21)
InChIKeyWUBCQCQNRPBTKX-UHFFFAOYSA-N
MW379.51 g/mol
LogP2.17
Rot. Bonds5

About 1-(benzenesulfonyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide

1-(benzenesulfonyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide (PubChem CID 86825596) has the molecular formula C17H21N3O3S2 and a molecular weight of 379.51 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide
PubChem CID86825596
Molecular FormulaC17H21N3O3S2
Molecular Weight379.51 g/mol
Exact Mass379.10
IUPAC Name1-(benzenesulfonyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide
SMILESCc1ncc(CNC(=O)C2CCCN(S(=O)(=O)c3ccccc3)C2)s1
InChIInChI=1S/C17H21N3O3S2/c1-13-18-10-15(24-13)11-19-17(21)14-6-5-9-20(12-14)25(22,23)16-7-3-2-4-8-16/h2-4,7-8,10,14H,5-6,9,11-12H2,1H3,(H,19,21)
InChIKeyWUBCQCQNRPBTKX-UHFFFAOYSA-N
XLogP2.17
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 1081586
(3S)-1-(benzenesulfonyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 28562114
(3S)-1-(benzenesulfonyl)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]piperidine-3-carboxamide
CID 100659789
(3R)-1-(benzenesulfonyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 38741196
1-(benzenesulfonyl)-N-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
CID 58702020
(3S)-1-(4-fluorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 1456645
(3S)-1-(benzenesulfonyl)-N-pentylpiperidine-3-carboxamide
CID 38767342
N-[(4-methylphenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 3244935
1-(4-fluorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 2969235
(3R)-1-(4-acetamidophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 41009115
(3S)-1-(benzenesulfonyl)-N-[(3,4-diethoxyphenyl)methyl]piperidine-3-carboxamide
CID 100660703
1-(benzenesulfonyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 51179844

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide (CID 86825596) is 1-(benzenesulfonyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide is Cc1ncc(CNC(=O)C2CCCN(S(=O)(=O)c3ccccc3)C2)s1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide?
The InChIKey is WUBCQCQNRPBTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S2/c1-13-18-10-15(24-13)11-19-17(21)14-6-5-9-20(12-14)25(22,23)16-7-3-2-4-8-16/h2-4,7-8,10,14H,5-6,9,11-12H2,1H3,(H,19,21).
What are the key properties of 1-(benzenesulfonyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide?
1-(benzenesulfonyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide has a molecular weight of 379.51 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 86825596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).