N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-(methanesulfonamido)propanamide

C13H23N5O3S — CID 91843426

IUPACN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-(methanesulfonamido)propanamide
SMILESCS(=O)(=O)NCCC(=O)NCc1nncn1C1CCCCC1
InChIInChI=1S/C13H23N5O3S/c1-22(20,21)16-8-7-13(19)14-9-12-17-15-10-18(12)11-5-3-2-4-6-11/h10-11,16H,2-9H2,1H3,(H,14,19)
InChIKeyGURFESSGZDWVRQ-UHFFFAOYSA-N
MW329.43 g/mol
LogP0.34
Rot. Bonds7

About N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-(methanesulfonamido)propanamide

N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-(methanesulfonamido)propanamide (PubChem CID 91843426) has the molecular formula C13H23N5O3S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-(methanesulfonamido)propanamide.

Molecular Properties

Compound NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-(methanesulfonamido)propanamide
PubChem CID91843426
Molecular FormulaC13H23N5O3S
Molecular Weight329.43 g/mol
Exact Mass329.15
IUPAC NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-(methanesulfonamido)propanamide
SMILESCS(=O)(=O)NCCC(=O)NCc1nncn1C1CCCCC1
InChIInChI=1S/C13H23N5O3S/c1-22(20,21)16-8-7-13(19)14-9-12-17-15-10-18(12)11-5-3-2-4-6-11/h10-11,16H,2-9H2,1H3,(H,14,19)
InChIKeyGURFESSGZDWVRQ-UHFFFAOYSA-N
XLogP0.34
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-(methanesulfonamido)propanamide 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 N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-(methanesulfonamido)propanamide?
The IUPAC name of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-(methanesulfonamido)propanamide (CID 91843426) is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-(methanesulfonamido)propanamide.
What is the SMILES notation for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-(methanesulfonamido)propanamide?
The canonical SMILES for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-(methanesulfonamido)propanamide is CS(=O)(=O)NCCC(=O)NCc1nncn1C1CCCCC1.
What is the InChIKey of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-(methanesulfonamido)propanamide?
The InChIKey is GURFESSGZDWVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O3S/c1-22(20,21)16-8-7-13(19)14-9-12-17-15-10-18(12)11-5-3-2-4-6-11/h10-11,16H,2-9H2,1H3,(H,14,19).
What are the key properties of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-(methanesulfonamido)propanamide?
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-(methanesulfonamido)propanamide has a molecular weight of 329.43 g/mol, XLogP of 0.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-(methanesulfonamido)propanamide is sourced from PubChem (CID 91843426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).