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

C14H16N4O3S2 — CID 23826158

IUPAC1-(benzenesulfonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
SMILESO=C(Nc1nncs1)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C14H16N4O3S2/c19-13(16-14-17-15-10-22-14)11-6-8-18(9-7-11)23(20,21)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2,(H,16,17,19)
InChIKeyVWVDJKWSAUSGQF-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.58
Rot. Bonds4

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

1-(benzenesulfonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide (PubChem CID 23826158) has the molecular formula C14H16N4O3S2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
PubChem CID23826158
Molecular FormulaC14H16N4O3S2
Molecular Weight352.44 g/mol
Exact Mass352.07
IUPAC Name1-(benzenesulfonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
SMILESO=C(Nc1nncs1)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C14H16N4O3S2/c19-13(16-14-17-15-10-22-14)11-6-8-18(9-7-11)23(20,21)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2,(H,16,17,19)
InChIKeyVWVDJKWSAUSGQF-UHFFFAOYSA-N
XLogP1.58
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,4-dichlorophenyl)sulfonyl-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 27234369
1-ethylsulfonyl-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 6471356
1-(benzenesulfonyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 6498125
1-(benzenesulfonyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide
CID 8831496
4-pyrrolidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 9179278
1-(benzenesulfonyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 26203036
1-(benzenesulfonyl)-N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 2541605
1-(benzenesulfonyl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 24686797
3-piperidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 1101754
1-(benzenesulfonyl)-N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)piperidine-4-carboxamide
CID 56501029
1-(4-methylsulfanylphenyl)sulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 100710873
1-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
CID 1326765

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide (CID 23826158) is 1-(benzenesulfonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide is O=C(Nc1nncs1)C1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is VWVDJKWSAUSGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S2/c19-13(16-14-17-15-10-22-14)11-6-8-18(9-7-11)23(20,21)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2,(H,16,17,19).
What are the key properties of 1-(benzenesulfonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
1-(benzenesulfonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 23826158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).