3-fluoro-3-(thian-4-yl)propan-1-amine

C8H16FNS — CID 105437226

IUPAC3-fluoro-3-(thian-4-yl)propan-1-amine
SMILESNCCC(F)C1CCSCC1
InChIInChI=1S/C8H16FNS/c9-8(1-4-10)7-2-5-11-6-3-7/h7-8H,1-6,10H2
InChIKeyDPPAWJVSWVPBCX-UHFFFAOYSA-N
MW177.29 g/mol
LogP1.82
Rot. Bonds3

About 3-fluoro-3-(thian-4-yl)propan-1-amine

3-fluoro-3-(thian-4-yl)propan-1-amine (PubChem CID 105437226) has the molecular formula C8H16FNS and a molecular weight of 177.29 g/mol. Its IUPAC name is 3-fluoro-3-(thian-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-fluoro-3-(thian-4-yl)propan-1-amine
PubChem CID105437226
Molecular FormulaC8H16FNS
Molecular Weight177.29 g/mol
Exact Mass177.10
IUPAC Name3-fluoro-3-(thian-4-yl)propan-1-amine
SMILESNCCC(F)C1CCSCC1
InChIInChI=1S/C8H16FNS/c9-8(1-4-10)7-2-5-11-6-3-7/h7-8H,1-6,10H2
InChIKeyDPPAWJVSWVPBCX-UHFFFAOYSA-N
XLogP1.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-fluoro-3-(thian-4-yl)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-fluoro-3-(thian-4-yl)propan-1-amine?
The IUPAC name of 3-fluoro-3-(thian-4-yl)propan-1-amine (CID 105437226) is 3-fluoro-3-(thian-4-yl)propan-1-amine.
What is the SMILES notation for 3-fluoro-3-(thian-4-yl)propan-1-amine?
The canonical SMILES for 3-fluoro-3-(thian-4-yl)propan-1-amine is NCCC(F)C1CCSCC1.
What is the InChIKey of 3-fluoro-3-(thian-4-yl)propan-1-amine?
The InChIKey is DPPAWJVSWVPBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNS/c9-8(1-4-10)7-2-5-11-6-3-7/h7-8H,1-6,10H2.
What are the key properties of 3-fluoro-3-(thian-4-yl)propan-1-amine?
3-fluoro-3-(thian-4-yl)propan-1-amine has a molecular weight of 177.29 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(thian-4-yl)propan-1-amine is sourced from PubChem (CID 105437226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).