2-methyl-4-[methyl(thiolan-3-yl)amino]butan-2-ol

C10H21NOS — CID 79361635

IUPAC2-methyl-4-[methyl(thiolan-3-yl)amino]butan-2-ol
SMILESCN(CCC(C)(C)O)C1CCSC1
InChIInChI=1S/C10H21NOS/c1-10(2,12)5-6-11(3)9-4-7-13-8-9/h9,12H,4-8H2,1-3H3
InChIKeyNKUZZXOUHLKAMK-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.58
Rot. Bonds4

About 2-methyl-4-[methyl(thiolan-3-yl)amino]butan-2-ol

2-methyl-4-[methyl(thiolan-3-yl)amino]butan-2-ol (PubChem CID 79361635) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 2-methyl-4-[methyl(thiolan-3-yl)amino]butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-[methyl(thiolan-3-yl)amino]butan-2-ol
PubChem CID79361635
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name2-methyl-4-[methyl(thiolan-3-yl)amino]butan-2-ol
SMILESCN(CCC(C)(C)O)C1CCSC1
InChIInChI=1S/C10H21NOS/c1-10(2,12)5-6-11(3)9-4-7-13-8-9/h9,12H,4-8H2,1-3H3
InChIKeyNKUZZXOUHLKAMK-UHFFFAOYSA-N
XLogP1.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-4-[methyl(thiolan-3-yl)amino]butan-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-methyl-4-[methyl(thiolan-3-yl)amino]butan-2-ol?
The IUPAC name of 2-methyl-4-[methyl(thiolan-3-yl)amino]butan-2-ol (CID 79361635) is 2-methyl-4-[methyl(thiolan-3-yl)amino]butan-2-ol.
What is the SMILES notation for 2-methyl-4-[methyl(thiolan-3-yl)amino]butan-2-ol?
The canonical SMILES for 2-methyl-4-[methyl(thiolan-3-yl)amino]butan-2-ol is CN(CCC(C)(C)O)C1CCSC1.
What is the InChIKey of 2-methyl-4-[methyl(thiolan-3-yl)amino]butan-2-ol?
The InChIKey is NKUZZXOUHLKAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-10(2,12)5-6-11(3)9-4-7-13-8-9/h9,12H,4-8H2,1-3H3.
What are the key properties of 2-methyl-4-[methyl(thiolan-3-yl)amino]butan-2-ol?
2-methyl-4-[methyl(thiolan-3-yl)amino]butan-2-ol has a molecular weight of 203.35 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[methyl(thiolan-3-yl)amino]butan-2-ol is sourced from PubChem (CID 79361635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).