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

C16H21N5O3S2 — CID 133161587

IUPAC1-(dimethylsulfamoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
SMILESCN(C)S(=O)(=O)N1CCCC(C(=O)Nc2nnc(-c3ccccc3)s2)C1
InChIInChI=1S/C16H21N5O3S2/c1-20(2)26(23,24)21-10-6-9-13(11-21)14(22)17-16-19-18-15(25-16)12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-11H2,1-2H3,(H,17,19,22)
InChIKeyWDHZFNDFUBFPKX-UHFFFAOYSA-N
MW395.51 g/mol
LogP1.66
Rot. Bonds5

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

1-(dimethylsulfamoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide (PubChem CID 133161587) has the molecular formula C16H21N5O3S2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 1-(dimethylsulfamoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(dimethylsulfamoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
PubChem CID133161587
Molecular FormulaC16H21N5O3S2
Molecular Weight395.51 g/mol
Exact Mass395.11
IUPAC Name1-(dimethylsulfamoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
SMILESCN(C)S(=O)(=O)N1CCCC(C(=O)Nc2nnc(-c3ccccc3)s2)C1
InChIInChI=1S/C16H21N5O3S2/c1-20(2)26(23,24)21-10-6-9-13(11-21)14(22)17-16-19-18-15(25-16)12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-11H2,1-2H3,(H,17,19,22)
InChIKeyWDHZFNDFUBFPKX-UHFFFAOYSA-N
XLogP1.66
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-1-methylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 124505189
1-(dimethylsulfamoyl)-N-phenylpiperidine-3-carboxamide
CID 46770903
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-ethylsulfonylpiperidine-3-carboxamide
CID 133210869
(3R)-N-benzyl-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 39730085
N-(2,6-dimethylphenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 53283870
N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 133187702
(3S)-1-(dimethylsulfamoyl)-N-naphthalen-2-ylpiperidine-3-carboxamide
CID 30397988
(3S)-1-(dimethylsulfamoyl)-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 28575034
(3S)-1-(dimethylsulfamoyl)-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide
CID 92681982
(3R)-1-(dimethylsulfamoyl)-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide
CID 92681981
(3R)-1-(dimethylsulfamoyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 93487555
1-cyano-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 118981045

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylsulfamoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(dimethylsulfamoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide (CID 133161587) is 1-(dimethylsulfamoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(dimethylsulfamoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(dimethylsulfamoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide is CN(C)S(=O)(=O)N1CCCC(C(=O)Nc2nnc(-c3ccccc3)s2)C1.
What is the InChIKey of 1-(dimethylsulfamoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is WDHZFNDFUBFPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3S2/c1-20(2)26(23,24)21-10-6-9-13(11-21)14(22)17-16-19-18-15(25-16)12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-11H2,1-2H3,(H,17,19,22).
What are the key properties of 1-(dimethylsulfamoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
1-(dimethylsulfamoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylsulfamoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 133161587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).