1-[3-[5-(dimethylsulfamoyl)benzotriazol-1-yl]propanoyl]piperidine-4-carboxamide

C17H24N6O4S — CID 53064458

IUPAC1-[3-[5-(dimethylsulfamoyl)benzotriazol-1-yl]propanoyl]piperidine-4-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)nnn2CCC(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C17H24N6O4S/c1-21(2)28(26,27)13-3-4-15-14(11-13)19-20-23(15)10-7-16(24)22-8-5-12(6-9-22)17(18)25/h3-4,11-12H,5-10H2,1-2H3,(H2,18,25)
InChIKeyNSMBHAMEFLIXPZ-UHFFFAOYSA-N
MW408.48 g/mol
LogP-0.20
Rot. Bonds6

About 1-[3-[5-(dimethylsulfamoyl)benzotriazol-1-yl]propanoyl]piperidine-4-carboxamide

1-[3-[5-(dimethylsulfamoyl)benzotriazol-1-yl]propanoyl]piperidine-4-carboxamide (PubChem CID 53064458) has the molecular formula C17H24N6O4S and a molecular weight of 408.48 g/mol. Its IUPAC name is 1-[3-[5-(dimethylsulfamoyl)benzotriazol-1-yl]propanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[5-(dimethylsulfamoyl)benzotriazol-1-yl]propanoyl]piperidine-4-carboxamide
PubChem CID53064458
Molecular FormulaC17H24N6O4S
Molecular Weight408.48 g/mol
Exact Mass408.16
IUPAC Name1-[3-[5-(dimethylsulfamoyl)benzotriazol-1-yl]propanoyl]piperidine-4-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)nnn2CCC(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C17H24N6O4S/c1-21(2)28(26,27)13-3-4-15-14(11-13)19-20-23(15)10-7-16(24)22-8-5-12(6-9-22)17(18)25/h3-4,11-12H,5-10H2,1-2H3,(H2,18,25)
InChIKeyNSMBHAMEFLIXPZ-UHFFFAOYSA-N
XLogP-0.20
TPSA131.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-benzylpiperidin-1-yl)-3-(5-pyrrolidin-1-ylsulfonylbenzotriazol-1-yl)propan-1-one
CID 53064350
1-(4-methylpiperidin-1-yl)-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butan-1-one
CID 53028639
4-[5-(dimethylsulfamoyl)benzotriazol-1-yl]-N-(3-pyrrolidin-1-ylpropyl)butanamide
CID 53077736
N,N-diethyl-1-[4-(4-ethylpiperazin-1-yl)-4-oxobutyl]benzotriazole-5-sulfonamide
CID 53077787
3-[5-(dimethylsulfamoyl)benzotriazol-1-yl]-N-(2-fluorophenyl)propanamide
CID 53064456
1-(azepan-1-yl)-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butan-1-one
CID 53077613
4-[5-(dimethylsulfamoyl)benzotriazol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]butanamide
CID 97043859
2-[3-[4-(4-hydroxybenzoyl)piperidin-1-yl]-3-oxopropyl]-N,N,1-trimethylbenzimidazole-5-sulfonamide
CID 24615493
N-(1,3-benzodioxol-5-ylmethyl)-3-[5-(dimethylsulfamoyl)benzotriazol-1-yl]propanamide
CID 53064465
1-[5-(dimethylsulfamoyl)-2-methoxybenzoyl]piperidine-4-carboxamide
CID 27260946
N-(4-acetylphenyl)-4-[5-(dimethylsulfamoyl)benzotriazol-1-yl]butanamide
CID 53077664
2-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxopropyl]-N,N,1-trimethylbenzimidazole-5-sulfonamide
CID 55902542

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-(dimethylsulfamoyl)benzotriazol-1-yl]propanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-[5-(dimethylsulfamoyl)benzotriazol-1-yl]propanoyl]piperidine-4-carboxamide (CID 53064458) is 1-[3-[5-(dimethylsulfamoyl)benzotriazol-1-yl]propanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[5-(dimethylsulfamoyl)benzotriazol-1-yl]propanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-[5-(dimethylsulfamoyl)benzotriazol-1-yl]propanoyl]piperidine-4-carboxamide is CN(C)S(=O)(=O)c1ccc2c(c1)nnn2CCC(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[3-[5-(dimethylsulfamoyl)benzotriazol-1-yl]propanoyl]piperidine-4-carboxamide?
The InChIKey is NSMBHAMEFLIXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O4S/c1-21(2)28(26,27)13-3-4-15-14(11-13)19-20-23(15)10-7-16(24)22-8-5-12(6-9-22)17(18)25/h3-4,11-12H,5-10H2,1-2H3,(H2,18,25).
What are the key properties of 1-[3-[5-(dimethylsulfamoyl)benzotriazol-1-yl]propanoyl]piperidine-4-carboxamide?
1-[3-[5-(dimethylsulfamoyl)benzotriazol-1-yl]propanoyl]piperidine-4-carboxamide has a molecular weight of 408.48 g/mol, XLogP of -0.20, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-(dimethylsulfamoyl)benzotriazol-1-yl]propanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 53064458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).