3-[(R)-methylsulfinyl]propan-1-amine

C4H11NOS — CID 51534037

IUPAC3-[(R)-methylsulfinyl]propan-1-amine
SMILESC[S@@](=O)CCCN
InChIInChI=1S/C4H11NOS/c1-7(6)4-2-3-5/h2-5H2,1H3/t7-/m1/s1
InChIKeyCOPMQUUNXNNQJO-SSDOTTSWSA-N
MW121.20 g/mol
LogP-0.29
Rot. Bonds3

About 3-[(R)-methylsulfinyl]propan-1-amine

3-[(R)-methylsulfinyl]propan-1-amine (PubChem CID 51534037) has the molecular formula C4H11NOS and a molecular weight of 121.20 g/mol. Its IUPAC name is 3-[(R)-methylsulfinyl]propan-1-amine.

Molecular Properties

Compound Name3-[(R)-methylsulfinyl]propan-1-amine
PubChem CID51534037
Molecular FormulaC4H11NOS
Molecular Weight121.20 g/mol
Exact Mass121.06
IUPAC Name3-[(R)-methylsulfinyl]propan-1-amine
SMILESC[S@@](=O)CCCN
InChIInChI=1S/C4H11NOS/c1-7(6)4-2-3-5/h2-5H2,1H3/t7-/m1/s1
InChIKeyCOPMQUUNXNNQJO-SSDOTTSWSA-N
XLogP-0.29
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.20
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(R)-methylsulfinyl]propan-1-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 3-[(R)-methylsulfinyl]propan-1-amine?
The IUPAC name of 3-[(R)-methylsulfinyl]propan-1-amine (CID 51534037) is 3-[(R)-methylsulfinyl]propan-1-amine.
What is the SMILES notation for 3-[(R)-methylsulfinyl]propan-1-amine?
The canonical SMILES for 3-[(R)-methylsulfinyl]propan-1-amine is C[S@@](=O)CCCN.
What is the InChIKey of 3-[(R)-methylsulfinyl]propan-1-amine?
The InChIKey is COPMQUUNXNNQJO-SSDOTTSWSA-N. The full InChI is InChI=1S/C4H11NOS/c1-7(6)4-2-3-5/h2-5H2,1H3/t7-/m1/s1.
What are the key properties of 3-[(R)-methylsulfinyl]propan-1-amine?
3-[(R)-methylsulfinyl]propan-1-amine has a molecular weight of 121.20 g/mol, XLogP of -0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(R)-methylsulfinyl]propan-1-amine is sourced from PubChem (CID 51534037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).