2,4-dimethyl-1-[(5-methylthiolan-3-yl)amino]pentan-2-ol

C12H25NOS — CID 79950212

IUPAC2,4-dimethyl-1-[(5-methylthiolan-3-yl)amino]pentan-2-ol
SMILESCC(C)CC(C)(O)CNC1CSC(C)C1
InChIInChI=1S/C12H25NOS/c1-9(2)6-12(4,14)8-13-11-5-10(3)15-7-11/h9-11,13-14H,5-8H2,1-4H3
InChIKeyORILZYXASOKARX-UHFFFAOYSA-N
MW231.40 g/mol
LogP2.27
Rot. Bonds5

About 2,4-dimethyl-1-[(5-methylthiolan-3-yl)amino]pentan-2-ol

2,4-dimethyl-1-[(5-methylthiolan-3-yl)amino]pentan-2-ol (PubChem CID 79950212) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is 2,4-dimethyl-1-[(5-methylthiolan-3-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name2,4-dimethyl-1-[(5-methylthiolan-3-yl)amino]pentan-2-ol
PubChem CID79950212
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC Name2,4-dimethyl-1-[(5-methylthiolan-3-yl)amino]pentan-2-ol
SMILESCC(C)CC(C)(O)CNC1CSC(C)C1
InChIInChI=1S/C12H25NOS/c1-9(2)6-12(4,14)8-13-11-5-10(3)15-7-11/h9-11,13-14H,5-8H2,1-4H3
InChIKeyORILZYXASOKARX-UHFFFAOYSA-N
XLogP2.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,4-dimethyl-1-[(5-methylthiolan-3-yl)amino]pentan-2-ol 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 2,4-dimethyl-1-[(5-methylthiolan-3-yl)amino]pentan-2-ol?
The IUPAC name of 2,4-dimethyl-1-[(5-methylthiolan-3-yl)amino]pentan-2-ol (CID 79950212) is 2,4-dimethyl-1-[(5-methylthiolan-3-yl)amino]pentan-2-ol.
What is the SMILES notation for 2,4-dimethyl-1-[(5-methylthiolan-3-yl)amino]pentan-2-ol?
The canonical SMILES for 2,4-dimethyl-1-[(5-methylthiolan-3-yl)amino]pentan-2-ol is CC(C)CC(C)(O)CNC1CSC(C)C1.
What is the InChIKey of 2,4-dimethyl-1-[(5-methylthiolan-3-yl)amino]pentan-2-ol?
The InChIKey is ORILZYXASOKARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS/c1-9(2)6-12(4,14)8-13-11-5-10(3)15-7-11/h9-11,13-14H,5-8H2,1-4H3.
What are the key properties of 2,4-dimethyl-1-[(5-methylthiolan-3-yl)amino]pentan-2-ol?
2,4-dimethyl-1-[(5-methylthiolan-3-yl)amino]pentan-2-ol has a molecular weight of 231.40 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-[(5-methylthiolan-3-yl)amino]pentan-2-ol is sourced from PubChem (CID 79950212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).