N-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidin-3-yl]methanesulfonamide

C9H16N6O3S — CID 55115241

IUPACN-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(C(=O)c2nc(N)n[nH]2)C1
InChIInChI=1S/C9H16N6O3S/c1-19(17,18)14-6-3-2-4-15(5-6)8(16)7-11-9(10)13-12-7/h6,14H,2-5H2,1H3,(H3,10,11,12,13)
InChIKeyCQESFDFVTKDVGM-UHFFFAOYSA-N
MW288.33 g/mol
LogP-1.46
Rot. Bonds3

About N-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidin-3-yl]methanesulfonamide

N-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidin-3-yl]methanesulfonamide (PubChem CID 55115241) has the molecular formula C9H16N6O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is N-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidin-3-yl]methanesulfonamide
PubChem CID55115241
Molecular FormulaC9H16N6O3S
Molecular Weight288.33 g/mol
Exact Mass288.10
IUPAC NameN-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(C(=O)c2nc(N)n[nH]2)C1
InChIInChI=1S/C9H16N6O3S/c1-19(17,18)14-6-3-2-4-15(5-6)8(16)7-11-9(10)13-12-7/h6,14H,2-5H2,1H3,(H3,10,11,12,13)
InChIKeyCQESFDFVTKDVGM-UHFFFAOYSA-N
XLogP-1.46
TPSA134.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 5-1.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidin-3-yl]methanesulfonamide (CID 55115241) is N-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidin-3-yl]methanesulfonamide is CS(=O)(=O)NC1CCCN(C(=O)c2nc(N)n[nH]2)C1.
What is the InChIKey of N-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidin-3-yl]methanesulfonamide?
The InChIKey is CQESFDFVTKDVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6O3S/c1-19(17,18)14-6-3-2-4-15(5-6)8(16)7-11-9(10)13-12-7/h6,14H,2-5H2,1H3,(H3,10,11,12,13).
What are the key properties of N-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidin-3-yl]methanesulfonamide?
N-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidin-3-yl]methanesulfonamide has a molecular weight of 288.33 g/mol, XLogP of -1.46, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 55115241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).