2-(oxan-4-ylsulfanyl)propan-1-amine

C8H17NOS — CID 62996998

IUPAC2-(oxan-4-ylsulfanyl)propan-1-amine
SMILESCC(CN)SC1CCOCC1
InChIInChI=1S/C8H17NOS/c1-7(6-9)11-8-2-4-10-5-3-8/h7-8H,2-6,9H2,1H3
InChIKeyJOBVDDFRIZWTBL-UHFFFAOYSA-N
MW175.30 g/mol
LogP1.25
Rot. Bonds3

About 2-(oxan-4-ylsulfanyl)propan-1-amine

2-(oxan-4-ylsulfanyl)propan-1-amine (PubChem CID 62996998) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is 2-(oxan-4-ylsulfanyl)propan-1-amine.

Molecular Properties

Compound Name2-(oxan-4-ylsulfanyl)propan-1-amine
PubChem CID62996998
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name2-(oxan-4-ylsulfanyl)propan-1-amine
SMILESCC(CN)SC1CCOCC1
InChIInChI=1S/C8H17NOS/c1-7(6-9)11-8-2-4-10-5-3-8/h7-8H,2-6,9H2,1H3
InChIKeyJOBVDDFRIZWTBL-UHFFFAOYSA-N
XLogP1.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(oxan-4-ylsulfanyl)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 2-(oxan-4-ylsulfanyl)propan-1-amine?
The IUPAC name of 2-(oxan-4-ylsulfanyl)propan-1-amine (CID 62996998) is 2-(oxan-4-ylsulfanyl)propan-1-amine.
What is the SMILES notation for 2-(oxan-4-ylsulfanyl)propan-1-amine?
The canonical SMILES for 2-(oxan-4-ylsulfanyl)propan-1-amine is CC(CN)SC1CCOCC1.
What is the InChIKey of 2-(oxan-4-ylsulfanyl)propan-1-amine?
The InChIKey is JOBVDDFRIZWTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-7(6-9)11-8-2-4-10-5-3-8/h7-8H,2-6,9H2,1H3.
What are the key properties of 2-(oxan-4-ylsulfanyl)propan-1-amine?
2-(oxan-4-ylsulfanyl)propan-1-amine has a molecular weight of 175.30 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-ylsulfanyl)propan-1-amine is sourced from PubChem (CID 62996998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).