N-butyl-N-methyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-sulfonamide

C13H25N5O2S — CID 51078401

IUPACN-butyl-N-methyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-sulfonamide
SMILESCCCCN(C)S(=O)(=O)N1CCC(c2nncn2C)CC1
InChIInChI=1S/C13H25N5O2S/c1-4-5-8-17(3)21(19,20)18-9-6-12(7-10-18)13-15-14-11-16(13)2/h11-12H,4-10H2,1-3H3
InChIKeyHCNVDXJSUALKCS-UHFFFAOYSA-N
MW315.44 g/mol
LogP0.97
Rot. Bonds6

About N-butyl-N-methyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-sulfonamide

N-butyl-N-methyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-sulfonamide (PubChem CID 51078401) has the molecular formula C13H25N5O2S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-butyl-N-methyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-butyl-N-methyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-sulfonamide
PubChem CID51078401
Molecular FormulaC13H25N5O2S
Molecular Weight315.44 g/mol
Exact Mass315.17
IUPAC NameN-butyl-N-methyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-sulfonamide
SMILESCCCCN(C)S(=O)(=O)N1CCC(c2nncn2C)CC1
InChIInChI=1S/C13H25N5O2S/c1-4-5-8-17(3)21(19,20)18-9-6-12(7-10-18)13-15-14-11-16(13)2/h11-12H,4-10H2,1-3H3
InChIKeyHCNVDXJSUALKCS-UHFFFAOYSA-N
XLogP0.97
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-sulfonamide?
The IUPAC name of N-butyl-N-methyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-sulfonamide (CID 51078401) is N-butyl-N-methyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-sulfonamide.
What is the SMILES notation for N-butyl-N-methyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-sulfonamide?
The canonical SMILES for N-butyl-N-methyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-sulfonamide is CCCCN(C)S(=O)(=O)N1CCC(c2nncn2C)CC1.
What is the InChIKey of N-butyl-N-methyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-sulfonamide?
The InChIKey is HCNVDXJSUALKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O2S/c1-4-5-8-17(3)21(19,20)18-9-6-12(7-10-18)13-15-14-11-16(13)2/h11-12H,4-10H2,1-3H3.
What are the key properties of N-butyl-N-methyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-sulfonamide?
N-butyl-N-methyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-sulfonamide has a molecular weight of 315.44 g/mol, XLogP of 0.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-sulfonamide is sourced from PubChem (CID 51078401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).