(2S)-N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]oxolane-2-carboxamide

C11H18N4O2S — CID 7451471

IUPAC(2S)-N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]oxolane-2-carboxamide
SMILESCCn1c(CNC(=O)[C@@H]2CCCO2)nnc1SC
InChIInChI=1S/C11H18N4O2S/c1-3-15-9(13-14-11(15)18-2)7-12-10(16)8-5-4-6-17-8/h8H,3-7H2,1-2H3,(H,12,16)/t8-/m0/s1
InChIKeySTNGMDNHSQNFKL-QMMMGPOBSA-N
MW270.36 g/mol
LogP0.82
Rot. Bonds5

About (2S)-N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]oxolane-2-carboxamide

(2S)-N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]oxolane-2-carboxamide (PubChem CID 7451471) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is (2S)-N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]oxolane-2-carboxamide
PubChem CID7451471
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name(2S)-N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]oxolane-2-carboxamide
SMILESCCn1c(CNC(=O)[C@@H]2CCCO2)nnc1SC
InChIInChI=1S/C11H18N4O2S/c1-3-15-9(13-14-11(15)18-2)7-12-10(16)8-5-4-6-17-8/h8H,3-7H2,1-2H3,(H,12,16)/t8-/m0/s1
InChIKeySTNGMDNHSQNFKL-QMMMGPOBSA-N
XLogP0.82
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]oxolane-2-carboxamide 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 (2S)-N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]oxolane-2-carboxamide (CID 7451471) is (2S)-N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]oxolane-2-carboxamide is CCn1c(CNC(=O)[C@@H]2CCCO2)nnc1SC.
What is the InChIKey of (2S)-N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]oxolane-2-carboxamide?
The InChIKey is STNGMDNHSQNFKL-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-3-15-9(13-14-11(15)18-2)7-12-10(16)8-5-4-6-17-8/h8H,3-7H2,1-2H3,(H,12,16)/t8-/m0/s1.
What are the key properties of (2S)-N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]oxolane-2-carboxamide?
(2S)-N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]oxolane-2-carboxamide has a molecular weight of 270.36 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]oxolane-2-carboxamide is sourced from PubChem (CID 7451471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).