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

C15H17N3O3S2 — CID 4539654

IUPAC1-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)piperidine-2-carboxamide
SMILESO=C(Nc1nccs1)C1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H17N3O3S2/c19-14(17-15-16-9-11-22-15)13-8-4-5-10-18(13)23(20,21)12-6-2-1-3-7-12/h1-3,6-7,9,11,13H,4-5,8,10H2,(H,16,17,19)
InChIKeyNVJAWQBHBQTEPV-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.33
Rot. Bonds4

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

1-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)piperidine-2-carboxamide (PubChem CID 4539654) 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-2-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)piperidine-2-carboxamide
PubChem CID4539654
Molecular FormulaC15H17N3O3S2
Molecular Weight351.45 g/mol
Exact Mass351.07
IUPAC Name1-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)piperidine-2-carboxamide
SMILESO=C(Nc1nccs1)C1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H17N3O3S2/c19-14(17-15-16-9-11-22-15)13-8-4-5-10-18(13)23(20,21)12-6-2-1-3-7-12/h1-3,6-7,9,11,13H,4-5,8,10H2,(H,16,17,19)
InChIKeyNVJAWQBHBQTEPV-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)piperidine-2-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)piperidine-2-carboxamide (CID 4539654) is 1-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)piperidine-2-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)piperidine-2-carboxamide is O=C(Nc1nccs1)C1CCCCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)piperidine-2-carboxamide?
The InChIKey is NVJAWQBHBQTEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S2/c19-14(17-15-16-9-11-22-15)13-8-4-5-10-18(13)23(20,21)12-6-2-1-3-7-12/h1-3,6-7,9,11,13H,4-5,8,10H2,(H,16,17,19).
What are the key properties of 1-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)piperidine-2-carboxamide?
1-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)piperidine-2-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 2.33, 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-2-carboxamide is sourced from PubChem (CID 4539654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).