1-(benzenesulfonyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide

C17H20N4O3S2 — CID 4877808

IUPAC1-(benzenesulfonyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide
SMILESO=C(Nc1nnc(C2CC2)s1)C1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H20N4O3S2/c22-15(18-17-20-19-16(25-17)12-9-10-12)14-8-4-5-11-21(14)26(23,24)13-6-2-1-3-7-13/h1-3,6-7,12,14H,4-5,8-11H2,(H,18,20,22)
InChIKeyYJFZCMPVKHDDFW-UHFFFAOYSA-N
MW392.51 g/mol
LogP2.60
Rot. Bonds5

About 1-(benzenesulfonyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide

1-(benzenesulfonyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide (PubChem CID 4877808) has the molecular formula C17H20N4O3S2 and a molecular weight of 392.51 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide
PubChem CID4877808
Molecular FormulaC17H20N4O3S2
Molecular Weight392.51 g/mol
Exact Mass392.10
IUPAC Name1-(benzenesulfonyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide
SMILESO=C(Nc1nnc(C2CC2)s1)C1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H20N4O3S2/c22-15(18-17-20-19-16(25-17)12-9-10-12)14-8-4-5-11-21(14)26(23,24)13-6-2-1-3-7-13/h1-3,6-7,12,14H,4-5,8-11H2,(H,18,20,22)
InChIKeyYJFZCMPVKHDDFW-UHFFFAOYSA-N
XLogP2.60
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(benzenesulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide
CID 18077763
(2R)-1-(benzenesulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide
CID 2318282
1-(benzenesulfonyl)-N-cyclopentylpiperidine-2-carboxamide
CID 51159553
(2S)-1-(benzenesulfonyl)-N-(3,5-dimethylphenyl)piperidine-2-carboxamide
CID 2648510
1-(benzenesulfonyl)-N-(6-methyl-2-pyridinyl)piperidine-2-carboxamide
CID 46651644
1-(benzenesulfonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-2-carboxamide
CID 55339409
1-(benzenesulfonyl)-N-(4-tert-butylphenyl)piperidine-2-carboxamide
CID 2928504
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 27297656
(2S)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide
CID 93100814
1-(4-bromophenyl)sulfonyl-N-phenylpiperidine-2-carboxamide
CID 24604772
(2S)-1-(benzenesulfonyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 165121500
1-(benzenesulfonyl)-N-(4-cyanophenyl)piperidine-2-carboxamide
CID 18077712

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide (CID 4877808) is 1-(benzenesulfonyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide is O=C(Nc1nnc(C2CC2)s1)C1CCCCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide?
The InChIKey is YJFZCMPVKHDDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S2/c22-15(18-17-20-19-16(25-17)12-9-10-12)14-8-4-5-11-21(14)26(23,24)13-6-2-1-3-7-13/h1-3,6-7,12,14H,4-5,8-11H2,(H,18,20,22).
What are the key properties of 1-(benzenesulfonyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide?
1-(benzenesulfonyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide has a molecular weight of 392.51 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide is sourced from PubChem (CID 4877808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).