2-(methanesulfonamido)-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide

C10H19N5O3S — CID 54885245

IUPAC2-(methanesulfonamido)-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide
SMILESCC(C)CC(NS(C)(=O)=O)C(=O)NCc1ncn[nH]1
InChIInChI=1S/C10H19N5O3S/c1-7(2)4-8(15-19(3,17)18)10(16)11-5-9-12-6-13-14-9/h6-8,15H,4-5H2,1-3H3,(H,11,16)(H,12,13,14)
InChIKeyIHPSSMNQRSMFST-UHFFFAOYSA-N
MW289.36 g/mol
LogP-0.62
Rot. Bonds7

About 2-(methanesulfonamido)-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide

2-(methanesulfonamido)-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide (PubChem CID 54885245) has the molecular formula C10H19N5O3S and a molecular weight of 289.36 g/mol. Its IUPAC name is 2-(methanesulfonamido)-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide.

Molecular Properties

Compound Name2-(methanesulfonamido)-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide
PubChem CID54885245
Molecular FormulaC10H19N5O3S
Molecular Weight289.36 g/mol
Exact Mass289.12
IUPAC Name2-(methanesulfonamido)-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide
SMILESCC(C)CC(NS(C)(=O)=O)C(=O)NCc1ncn[nH]1
InChIInChI=1S/C10H19N5O3S/c1-7(2)4-8(15-19(3,17)18)10(16)11-5-9-12-6-13-14-9/h6-8,15H,4-5H2,1-3H3,(H,11,16)(H,12,13,14)
InChIKeyIHPSSMNQRSMFST-UHFFFAOYSA-N
XLogP-0.62
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(methanesulfonamido)-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide 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-(methanesulfonamido)-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide?
The IUPAC name of 2-(methanesulfonamido)-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide (CID 54885245) is 2-(methanesulfonamido)-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide.
What is the SMILES notation for 2-(methanesulfonamido)-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide?
The canonical SMILES for 2-(methanesulfonamido)-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide is CC(C)CC(NS(C)(=O)=O)C(=O)NCc1ncn[nH]1.
What is the InChIKey of 2-(methanesulfonamido)-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide?
The InChIKey is IHPSSMNQRSMFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O3S/c1-7(2)4-8(15-19(3,17)18)10(16)11-5-9-12-6-13-14-9/h6-8,15H,4-5H2,1-3H3,(H,11,16)(H,12,13,14).
What are the key properties of 2-(methanesulfonamido)-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide?
2-(methanesulfonamido)-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide has a molecular weight of 289.36 g/mol, XLogP of -0.62, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfonamido)-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide is sourced from PubChem (CID 54885245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).