N-[1-(2H-triazole-4-carbonyl)piperidin-3-yl]methanesulfonamide

C9H15N5O3S — CID 113226212

IUPACN-[1-(2H-triazole-4-carbonyl)piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(C(=O)c2cn[nH]n2)C1
InChIInChI=1S/C9H15N5O3S/c1-18(16,17)12-7-3-2-4-14(6-7)9(15)8-5-10-13-11-8/h5,7,12H,2-4,6H2,1H3,(H,10,11,13)
InChIKeyUFRTZUHORLZTJU-UHFFFAOYSA-N
MW273.32 g/mol
LogP-1.04
Rot. Bonds3

About N-[1-(2H-triazole-4-carbonyl)piperidin-3-yl]methanesulfonamide

N-[1-(2H-triazole-4-carbonyl)piperidin-3-yl]methanesulfonamide (PubChem CID 113226212) has the molecular formula C9H15N5O3S and a molecular weight of 273.32 g/mol. Its IUPAC name is N-[1-(2H-triazole-4-carbonyl)piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(2H-triazole-4-carbonyl)piperidin-3-yl]methanesulfonamide
PubChem CID113226212
Molecular FormulaC9H15N5O3S
Molecular Weight273.32 g/mol
Exact Mass273.09
IUPAC NameN-[1-(2H-triazole-4-carbonyl)piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(C(=O)c2cn[nH]n2)C1
InChIInChI=1S/C9H15N5O3S/c1-18(16,17)12-7-3-2-4-14(6-7)9(15)8-5-10-13-11-8/h5,7,12H,2-4,6H2,1H3,(H,10,11,13)
InChIKeyUFRTZUHORLZTJU-UHFFFAOYSA-N
XLogP-1.04
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-(2H-triazole-4-carbonyl)piperidin-3-yl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperidin-3-yl]methanesulfonamide
CID 51079185
N-[1-(4-chloropyridine-3-carbonyl)piperidin-3-yl]methanesulfonamide
CID 81227485
N-[1-(1H-indazole-3-carbonyl)piperidin-3-yl]methanesulfonamide
CID 51079181
N-[1-(3,5-dibromobenzoyl)piperidin-3-yl]methanesulfonamide
CID 103907786
N-[1-(4-aminobenzoyl)piperidin-3-yl]methanesulfonamide
CID 60945770
N-[1-(4-chloro-6-methylpyridine-3-carbonyl)piperidin-3-yl]methanesulfonamide
CID 81231053
2-methyl-2-[1-(2H-triazole-4-carbonyl)piperidin-3-yl]propanoic acid
CID 83198185
N-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]methanesulfonamide
CID 47184528
[(3R)-3-aminopyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
CID 115301640
N,N-diethyl-1-(2H-triazole-4-carbonyl)piperidine-3-carboxamide
CID 74232620
3-[3-(methanesulfonamido)piperidine-1-carbonyl]benzoic acid
CID 126773299
N-[1-(5-methylfuran-2-carbonyl)piperidin-3-yl]methanesulfonamide
CID 47184451

Frequently Asked Questions

What is the IUPAC name of N-[1-(2H-triazole-4-carbonyl)piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-(2H-triazole-4-carbonyl)piperidin-3-yl]methanesulfonamide (CID 113226212) is N-[1-(2H-triazole-4-carbonyl)piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(2H-triazole-4-carbonyl)piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-(2H-triazole-4-carbonyl)piperidin-3-yl]methanesulfonamide is CS(=O)(=O)NC1CCCN(C(=O)c2cn[nH]n2)C1.
What is the InChIKey of N-[1-(2H-triazole-4-carbonyl)piperidin-3-yl]methanesulfonamide?
The InChIKey is UFRTZUHORLZTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O3S/c1-18(16,17)12-7-3-2-4-14(6-7)9(15)8-5-10-13-11-8/h5,7,12H,2-4,6H2,1H3,(H,10,11,13).
What are the key properties of N-[1-(2H-triazole-4-carbonyl)piperidin-3-yl]methanesulfonamide?
N-[1-(2H-triazole-4-carbonyl)piperidin-3-yl]methanesulfonamide has a molecular weight of 273.32 g/mol, XLogP of -1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2H-triazole-4-carbonyl)piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 113226212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).