1-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

C15H17N3O3S2 — CID 16828987

IUPAC1-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1nccs1)C1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C15H17N3O3S2/c19-14(17-15-16-8-10-22-15)12-5-4-9-18(11-12)23(20,21)13-6-2-1-3-7-13/h1-3,6-8,10,12H,4-5,9,11H2,(H,16,17,19)
InChIKeyRKACIEQFDZAEHF-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.18
Rot. Bonds4

About 1-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

1-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (PubChem CID 16828987) has the molecular formula C15H17N3O3S2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
PubChem CID16828987
Molecular FormulaC15H17N3O3S2
Molecular Weight351.45 g/mol
Exact Mass351.07
IUPAC Name1-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1nccs1)C1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C15H17N3O3S2/c19-14(17-15-16-8-10-22-15)12-5-4-9-18(11-12)23(20,21)13-6-2-1-3-7-13/h1-3,6-8,10,12H,4-5,9,11H2,(H,16,17,19)
InChIKeyRKACIEQFDZAEHF-UHFFFAOYSA-N
XLogP2.18
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(4-chlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 41118580
N-(1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826163
1-(benzenesulfonyl)-N-[4-methylsulfanyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]piperidine-3-carboxamide
CID 71710468
(3S)-1-(4-fluorophenyl)sulfonyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-carboxamide
CID 40917187
(3S)-1-[[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 92746969
(3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 100659269
1-benzyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 60548570
1-(4-methoxyphenyl)sulfonyl-N-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]piperidine-3-carboxamide
CID 71710462
(3S)-1-(benzenesulfonyl)-N-cycloheptylpiperidine-3-carboxamide
CID 39898448
1-(4-fluorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 4822373
1-(benzenesulfonyl)-N-[(E)-thiophen-2-ylmethylideneamino]piperidine-3-carboxamide
CID 17349457
(3R)-1-(benzenesulfonyl)-N-(2-phenylphenyl)piperidine-3-carboxamide
CID 1445014

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (CID 16828987) is 1-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is O=C(Nc1nccs1)C1CCCN(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is RKACIEQFDZAEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S2/c19-14(17-15-16-8-10-22-15)12-5-4-9-18(11-12)23(20,21)13-6-2-1-3-7-13/h1-3,6-8,10,12H,4-5,9,11H2,(H,16,17,19).
What are the key properties of 1-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
1-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 16828987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).