2-propylsulfanyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide

C10H18N4OS — CID 91832291

IUPAC2-propylsulfanyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide
SMILESCCCSCC(=O)NC(C)Cn1cncn1
InChIInChI=1S/C10H18N4OS/c1-3-4-16-6-10(15)13-9(2)5-14-8-11-7-12-14/h7-9H,3-6H2,1-2H3,(H,13,15)
InChIKeyWNRLPXVHJIBRQO-UHFFFAOYSA-N
MW242.35 g/mol
LogP0.93
Rot. Bonds7

About 2-propylsulfanyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide

2-propylsulfanyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide (PubChem CID 91832291) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 2-propylsulfanyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-propylsulfanyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide
PubChem CID91832291
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name2-propylsulfanyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide
SMILESCCCSCC(=O)NC(C)Cn1cncn1
InChIInChI=1S/C10H18N4OS/c1-3-4-16-6-10(15)13-9(2)5-14-8-11-7-12-14/h7-9H,3-6H2,1-2H3,(H,13,15)
InChIKeyWNRLPXVHJIBRQO-UHFFFAOYSA-N
XLogP0.93
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-propylsulfanyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide 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-propylsulfanyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide?
The IUPAC name of 2-propylsulfanyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide (CID 91832291) is 2-propylsulfanyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide.
What is the SMILES notation for 2-propylsulfanyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide?
The canonical SMILES for 2-propylsulfanyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide is CCCSCC(=O)NC(C)Cn1cncn1.
What is the InChIKey of 2-propylsulfanyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide?
The InChIKey is WNRLPXVHJIBRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-3-4-16-6-10(15)13-9(2)5-14-8-11-7-12-14/h7-9H,3-6H2,1-2H3,(H,13,15).
What are the key properties of 2-propylsulfanyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide?
2-propylsulfanyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide has a molecular weight of 242.35 g/mol, XLogP of 0.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylsulfanyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide is sourced from PubChem (CID 91832291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).