1-amino-3-(oxan-4-ylsulfanyl)propan-2-ol

C8H17NO2S — CID 62997508

IUPAC1-amino-3-(oxan-4-ylsulfanyl)propan-2-ol
SMILESNCC(O)CSC1CCOCC1
InChIInChI=1S/C8H17NO2S/c9-5-7(10)6-12-8-1-3-11-4-2-8/h7-8,10H,1-6,9H2
InChIKeyXJBJHAMGMDDCTM-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.22
Rot. Bonds4

About 1-amino-3-(oxan-4-ylsulfanyl)propan-2-ol

1-amino-3-(oxan-4-ylsulfanyl)propan-2-ol (PubChem CID 62997508) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 1-amino-3-(oxan-4-ylsulfanyl)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(oxan-4-ylsulfanyl)propan-2-ol
PubChem CID62997508
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name1-amino-3-(oxan-4-ylsulfanyl)propan-2-ol
SMILESNCC(O)CSC1CCOCC1
InChIInChI=1S/C8H17NO2S/c9-5-7(10)6-12-8-1-3-11-4-2-8/h7-8,10H,1-6,9H2
InChIKeyXJBJHAMGMDDCTM-UHFFFAOYSA-N
XLogP0.22
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-amino-3-(oxan-4-ylsulfanyl)propan-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 1-amino-3-(oxan-4-ylsulfanyl)propan-2-ol?
The IUPAC name of 1-amino-3-(oxan-4-ylsulfanyl)propan-2-ol (CID 62997508) is 1-amino-3-(oxan-4-ylsulfanyl)propan-2-ol.
What is the SMILES notation for 1-amino-3-(oxan-4-ylsulfanyl)propan-2-ol?
The canonical SMILES for 1-amino-3-(oxan-4-ylsulfanyl)propan-2-ol is NCC(O)CSC1CCOCC1.
What is the InChIKey of 1-amino-3-(oxan-4-ylsulfanyl)propan-2-ol?
The InChIKey is XJBJHAMGMDDCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c9-5-7(10)6-12-8-1-3-11-4-2-8/h7-8,10H,1-6,9H2.
What are the key properties of 1-amino-3-(oxan-4-ylsulfanyl)propan-2-ol?
1-amino-3-(oxan-4-ylsulfanyl)propan-2-ol has a molecular weight of 191.30 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(oxan-4-ylsulfanyl)propan-2-ol is sourced from PubChem (CID 62997508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).