(3S)-1-methylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

C15H18N4O3S2 — CID 124505189

IUPAC(3S)-1-methylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCC[C@H](C(=O)Nc2nnc(-c3ccccc3)s2)C1
InChIInChI=1S/C15H18N4O3S2/c1-24(21,22)19-9-5-8-12(10-19)13(20)16-15-18-17-14(23-15)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3,(H,16,18,20)/t12-/m0/s1
InChIKeyGQLPMAGNUSWYEZ-LBPRGKRZSA-N
MW366.47 g/mol
LogP1.82
Rot. Bonds4

About (3S)-1-methylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

(3S)-1-methylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide (PubChem CID 124505189) has the molecular formula C15H18N4O3S2 and a molecular weight of 366.47 g/mol. Its IUPAC name is (3S)-1-methylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-methylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
PubChem CID124505189
Molecular FormulaC15H18N4O3S2
Molecular Weight366.47 g/mol
Exact Mass366.08
IUPAC Name(3S)-1-methylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCC[C@H](C(=O)Nc2nnc(-c3ccccc3)s2)C1
InChIInChI=1S/C15H18N4O3S2/c1-24(21,22)19-9-5-8-12(10-19)13(20)16-15-18-17-14(23-15)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3,(H,16,18,20)/t12-/m0/s1
InChIKeyGQLPMAGNUSWYEZ-LBPRGKRZSA-N
XLogP1.82
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(dimethylsulfamoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 133161587
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-ethylsulfonylpiperidine-3-carboxamide
CID 133210869
1-methylsulfonyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide
CID 43043803
N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 133187702
1-cyano-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 118981045
1-[(3-chlorophenyl)methylsulfonyl]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
CID 133178482
1-(4-methylsulfanylphenyl)sulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 100710873
1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
CID 133210379
1-(benzenesulfonyl)-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 133167934
1-(3-phenoxypropanoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 55966662
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 18141586
N-[2-(hydroxymethyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 61497891

Frequently Asked Questions

What is the IUPAC name of (3S)-1-methylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-methylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide (CID 124505189) is (3S)-1-methylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-methylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-methylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide is CS(=O)(=O)N1CCC[C@H](C(=O)Nc2nnc(-c3ccccc3)s2)C1.
What is the InChIKey of (3S)-1-methylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is GQLPMAGNUSWYEZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N4O3S2/c1-24(21,22)19-9-5-8-12(10-19)13(20)16-15-18-17-14(23-15)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3,(H,16,18,20)/t12-/m0/s1.
What are the key properties of (3S)-1-methylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
(3S)-1-methylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 124505189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).