1-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide

C15H17N3O3S2 — CID 4822129

IUPAC1-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESO=C(Nc1nccs1)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C15H17N3O3S2/c19-14(17-15-16-8-11-22-15)12-6-9-18(10-7-12)23(20,21)13-4-2-1-3-5-13/h1-5,8,11-12H,6-7,9-10H2,(H,16,17,19)
InChIKeyVMYUVLKUOMLFJP-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.18
Rot. Bonds4

About 1-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide

1-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 4822129) 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-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
PubChem CID4822129
Molecular FormulaC15H17N3O3S2
Molecular Weight351.45 g/mol
Exact Mass351.07
IUPAC Name1-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESO=C(Nc1nccs1)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C15H17N3O3S2/c19-14(17-15-16-8-11-22-15)12-6-9-18(10-7-12)23(20,21)13-4-2-1-3-5-13/h1-5,8,11-12H,6-7,9-10H2,(H,16,17,19)
InChIKeyVMYUVLKUOMLFJP-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

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CID 2991996
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(2S)-2-(4-benzylsulfonyl-2-oxopiperazin-1-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide
CID 25069589
(2S)-3-cyclohexyl-2-[4-(3-methylphenyl)sulfonyl-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 25073999
(2S)-3-cyclohexyl-2-[4-(3,5-difluorophenyl)sulfonyl-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 57657277
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CID 647437
N-Thiazol-2-YL-3-(toluene-4-sulfonylamino)-propionamide
CID 854185
3-(1-piperidinylsulfonyl)-N-(2-thiazolyl)benzamide
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CID 1158565
3-(4-morpholin-4-ylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 2475600
2-(benzenesulfonamido)-N-(1,3-thiazol-2-yl)propanamide
CID 2998088
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CID 3163449

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 4822129) is 1-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide is O=C(Nc1nccs1)C1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is VMYUVLKUOMLFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S2/c19-14(17-15-16-8-11-22-15)12-6-9-18(10-7-12)23(20,21)13-4-2-1-3-5-13/h1-5,8,11-12H,6-7,9-10H2,(H,16,17,19).
What are the key properties of 1-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
1-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)piperidine-4-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-4-carboxamide is sourced from PubChem (CID 4822129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).