2-[4-(methanesulfonamido)triazol-2-yl]-N-piperidin-4-ylacetamide

C10H18N6O3S — CID 112531144

IUPAC2-[4-(methanesulfonamido)triazol-2-yl]-N-piperidin-4-ylacetamide
SMILESCS(=O)(=O)Nc1cnn(CC(=O)NC2CCNCC2)n1
InChIInChI=1S/C10H18N6O3S/c1-20(18,19)15-9-6-12-16(14-9)7-10(17)13-8-2-4-11-5-3-8/h6,8,11H,2-5,7H2,1H3,(H,13,17)(H,14,15)
InChIKeyLFGBCLJUHGJWDP-UHFFFAOYSA-N
MW302.36 g/mol
LogP-1.48
Rot. Bonds5

About 2-[4-(methanesulfonamido)triazol-2-yl]-N-piperidin-4-ylacetamide

2-[4-(methanesulfonamido)triazol-2-yl]-N-piperidin-4-ylacetamide (PubChem CID 112531144) has the molecular formula C10H18N6O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 2-[4-(methanesulfonamido)triazol-2-yl]-N-piperidin-4-ylacetamide.

Molecular Properties

Compound Name2-[4-(methanesulfonamido)triazol-2-yl]-N-piperidin-4-ylacetamide
PubChem CID112531144
Molecular FormulaC10H18N6O3S
Molecular Weight302.36 g/mol
Exact Mass302.12
IUPAC Name2-[4-(methanesulfonamido)triazol-2-yl]-N-piperidin-4-ylacetamide
SMILESCS(=O)(=O)Nc1cnn(CC(=O)NC2CCNCC2)n1
InChIInChI=1S/C10H18N6O3S/c1-20(18,19)15-9-6-12-16(14-9)7-10(17)13-8-2-4-11-5-3-8/h6,8,11H,2-5,7H2,1H3,(H,13,17)(H,14,15)
InChIKeyLFGBCLJUHGJWDP-UHFFFAOYSA-N
XLogP-1.48
TPSA118.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 5-1.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[4-(methanesulfonamido)triazol-2-yl]-N-piperidin-4-ylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methanesulfonamido)triazol-2-yl]-N-piperidin-4-ylacetamide?
The IUPAC name of 2-[4-(methanesulfonamido)triazol-2-yl]-N-piperidin-4-ylacetamide (CID 112531144) is 2-[4-(methanesulfonamido)triazol-2-yl]-N-piperidin-4-ylacetamide.
What is the SMILES notation for 2-[4-(methanesulfonamido)triazol-2-yl]-N-piperidin-4-ylacetamide?
The canonical SMILES for 2-[4-(methanesulfonamido)triazol-2-yl]-N-piperidin-4-ylacetamide is CS(=O)(=O)Nc1cnn(CC(=O)NC2CCNCC2)n1.
What is the InChIKey of 2-[4-(methanesulfonamido)triazol-2-yl]-N-piperidin-4-ylacetamide?
The InChIKey is LFGBCLJUHGJWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O3S/c1-20(18,19)15-9-6-12-16(14-9)7-10(17)13-8-2-4-11-5-3-8/h6,8,11H,2-5,7H2,1H3,(H,13,17)(H,14,15).
What are the key properties of 2-[4-(methanesulfonamido)triazol-2-yl]-N-piperidin-4-ylacetamide?
2-[4-(methanesulfonamido)triazol-2-yl]-N-piperidin-4-ylacetamide has a molecular weight of 302.36 g/mol, XLogP of -1.48, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methanesulfonamido)triazol-2-yl]-N-piperidin-4-ylacetamide is sourced from PubChem (CID 112531144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).