N-(2-hydroxy-2-methylpropyl)-N-methylthiolane-3-carboxamide

C10H19NO2S — CID 79380732

IUPACN-(2-hydroxy-2-methylpropyl)-N-methylthiolane-3-carboxamide
SMILESCN(CC(C)(C)O)C(=O)C1CCSC1
InChIInChI=1S/C10H19NO2S/c1-10(2,13)7-11(3)9(12)8-4-5-14-6-8/h8,13H,4-7H2,1-3H3
InChIKeyWZHZXFYSCGQZPH-UHFFFAOYSA-N
MW217.33 g/mol
LogP0.97
Rot. Bonds3

About N-(2-hydroxy-2-methylpropyl)-N-methylthiolane-3-carboxamide

N-(2-hydroxy-2-methylpropyl)-N-methylthiolane-3-carboxamide (PubChem CID 79380732) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-N-methylthiolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-N-methylthiolane-3-carboxamide
PubChem CID79380732
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC NameN-(2-hydroxy-2-methylpropyl)-N-methylthiolane-3-carboxamide
SMILESCN(CC(C)(C)O)C(=O)C1CCSC1
InChIInChI=1S/C10H19NO2S/c1-10(2,13)7-11(3)9(12)8-4-5-14-6-8/h8,13H,4-7H2,1-3H3
InChIKeyWZHZXFYSCGQZPH-UHFFFAOYSA-N
XLogP0.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-hydroxy-2-methylpropyl)-N-methylthiolane-3-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 N-(2-hydroxy-2-methylpropyl)-N-methylthiolane-3-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methylthiolane-3-carboxamide (CID 79380732) is N-(2-hydroxy-2-methylpropyl)-N-methylthiolane-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-N-methylthiolane-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-N-methylthiolane-3-carboxamide is CN(CC(C)(C)O)C(=O)C1CCSC1.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-N-methylthiolane-3-carboxamide?
The InChIKey is WZHZXFYSCGQZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-10(2,13)7-11(3)9(12)8-4-5-14-6-8/h8,13H,4-7H2,1-3H3.
What are the key properties of N-(2-hydroxy-2-methylpropyl)-N-methylthiolane-3-carboxamide?
N-(2-hydroxy-2-methylpropyl)-N-methylthiolane-3-carboxamide has a molecular weight of 217.33 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-N-methylthiolane-3-carboxamide is sourced from PubChem (CID 79380732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).