3-methylsulfanyl-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]propanamide

C10H18N4OS — CID 91790249

IUPAC3-methylsulfanyl-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]propanamide
SMILESCCC(NC(=O)CCSC)c1ncnn1C
InChIInChI=1S/C10H18N4OS/c1-4-8(10-11-7-12-14(10)2)13-9(15)5-6-16-3/h7-8H,4-6H2,1-3H3,(H,13,15)
InChIKeyPJUHSBURXDDLKB-UHFFFAOYSA-N
MW242.35 g/mol
LogP1.14
Rot. Bonds6

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

3-methylsulfanyl-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]propanamide (PubChem CID 91790249) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 3-methylsulfanyl-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]propanamide.

Molecular Properties

Compound Name3-methylsulfanyl-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]propanamide
PubChem CID91790249
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name3-methylsulfanyl-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]propanamide
SMILESCCC(NC(=O)CCSC)c1ncnn1C
InChIInChI=1S/C10H18N4OS/c1-4-8(10-11-7-12-14(10)2)13-9(15)5-6-16-3/h7-8H,4-6H2,1-3H3,(H,13,15)
InChIKeyPJUHSBURXDDLKB-UHFFFAOYSA-N
XLogP1.14
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]propanamide?
The IUPAC name of 3-methylsulfanyl-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]propanamide (CID 91790249) is 3-methylsulfanyl-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]propanamide.
What is the SMILES notation for 3-methylsulfanyl-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]propanamide?
The canonical SMILES for 3-methylsulfanyl-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]propanamide is CCC(NC(=O)CCSC)c1ncnn1C.
What is the InChIKey of 3-methylsulfanyl-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]propanamide?
The InChIKey is PJUHSBURXDDLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-4-8(10-11-7-12-14(10)2)13-9(15)5-6-16-3/h7-8H,4-6H2,1-3H3,(H,13,15).
What are the key properties of 3-methylsulfanyl-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]propanamide?
3-methylsulfanyl-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]propanamide has a molecular weight of 242.35 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]propanamide is sourced from PubChem (CID 91790249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).