(2S)-1-methylsulfanylpropan-2-amine

C4H11NS — CID 20698872

IUPAC(2S)-1-methylsulfanylpropan-2-amine
SMILESCSC[C@H](C)N
InChIInChI=1S/C4H11NS/c1-4(5)3-6-2/h4H,3,5H2,1-2H3/t4-/m0/s1
InChIKeyZXGNLASDUYGVFG-BYPYZUCNSA-N
MW105.21 g/mol
LogP0.70
Rot. Bonds2

About (2S)-1-methylsulfanylpropan-2-amine

(2S)-1-methylsulfanylpropan-2-amine (PubChem CID 20698872) has the molecular formula C4H11NS and a molecular weight of 105.21 g/mol. Its IUPAC name is (2S)-1-methylsulfanylpropan-2-amine.

Molecular Properties

Compound Name(2S)-1-methylsulfanylpropan-2-amine
PubChem CID20698872
Molecular FormulaC4H11NS
Molecular Weight105.21 g/mol
Exact Mass105.06
IUPAC Name(2S)-1-methylsulfanylpropan-2-amine
SMILESCSC[C@H](C)N
InChIInChI=1S/C4H11NS/c1-4(5)3-6-2/h4H,3,5H2,1-2H3/t4-/m0/s1
InChIKeyZXGNLASDUYGVFG-BYPYZUCNSA-N
XLogP0.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.21
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-1-methylsulfanylpropan-2-amine 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)-1-methylsulfanylpropan-2-amine?
The IUPAC name of (2S)-1-methylsulfanylpropan-2-amine (CID 20698872) is (2S)-1-methylsulfanylpropan-2-amine.
What is the SMILES notation for (2S)-1-methylsulfanylpropan-2-amine?
The canonical SMILES for (2S)-1-methylsulfanylpropan-2-amine is CSC[C@H](C)N.
What is the InChIKey of (2S)-1-methylsulfanylpropan-2-amine?
The InChIKey is ZXGNLASDUYGVFG-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H11NS/c1-4(5)3-6-2/h4H,3,5H2,1-2H3/t4-/m0/s1.
What are the key properties of (2S)-1-methylsulfanylpropan-2-amine?
(2S)-1-methylsulfanylpropan-2-amine has a molecular weight of 105.21 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methylsulfanylpropan-2-amine is sourced from PubChem (CID 20698872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).