(2R)-N-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

C11H18N4OS — CID 7509334

IUPAC(2R)-N-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
SMILESC[C@@H](Sc1nncn1C)C(=O)NC1CCCC1
InChIInChI=1S/C11H18N4OS/c1-8(17-11-14-12-7-15(11)2)10(16)13-9-5-3-4-6-9/h7-9H,3-6H2,1-2H3,(H,13,16)/t8-/m1/s1
InChIKeyWRKOTTIFRNPGQS-MRVPVSSYSA-N
MW254.36 g/mol
LogP1.35
Rot. Bonds4

About (2R)-N-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

(2R)-N-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide (PubChem CID 7509334) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is (2R)-N-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide.

Molecular Properties

Compound Name(2R)-N-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
PubChem CID7509334
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name(2R)-N-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
SMILESC[C@@H](Sc1nncn1C)C(=O)NC1CCCC1
InChIInChI=1S/C11H18N4OS/c1-8(17-11-14-12-7-15(11)2)10(16)13-9-5-3-4-6-9/h7-9H,3-6H2,1-2H3,(H,13,16)/t8-/m1/s1
InChIKeyWRKOTTIFRNPGQS-MRVPVSSYSA-N
XLogP1.35
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-N-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]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 (2R)-N-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The IUPAC name of (2R)-N-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide (CID 7509334) is (2R)-N-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide.
What is the SMILES notation for (2R)-N-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The canonical SMILES for (2R)-N-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide is C[C@@H](Sc1nncn1C)C(=O)NC1CCCC1.
What is the InChIKey of (2R)-N-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The InChIKey is WRKOTTIFRNPGQS-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-8(17-11-14-12-7-15(11)2)10(16)13-9-5-3-4-6-9/h7-9H,3-6H2,1-2H3,(H,13,16)/t8-/m1/s1.
What are the key properties of (2R)-N-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
(2R)-N-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide has a molecular weight of 254.36 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide is sourced from PubChem (CID 7509334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).