3-fluoro-N-methyl-3-(thian-4-yl)butan-1-amine

C10H20FNS — CID 105458275

IUPAC3-fluoro-N-methyl-3-(thian-4-yl)butan-1-amine
SMILESCNCCC(C)(F)C1CCSCC1
InChIInChI=1S/C10H20FNS/c1-10(11,5-6-12-2)9-3-7-13-8-4-9/h9,12H,3-8H2,1-2H3
InChIKeyXGZNEGAUBHBDJD-UHFFFAOYSA-N
MW205.34 g/mol
LogP2.47
Rot. Bonds4

About 3-fluoro-N-methyl-3-(thian-4-yl)butan-1-amine

3-fluoro-N-methyl-3-(thian-4-yl)butan-1-amine (PubChem CID 105458275) has the molecular formula C10H20FNS and a molecular weight of 205.34 g/mol. Its IUPAC name is 3-fluoro-N-methyl-3-(thian-4-yl)butan-1-amine.

Molecular Properties

Compound Name3-fluoro-N-methyl-3-(thian-4-yl)butan-1-amine
PubChem CID105458275
Molecular FormulaC10H20FNS
Molecular Weight205.34 g/mol
Exact Mass205.13
IUPAC Name3-fluoro-N-methyl-3-(thian-4-yl)butan-1-amine
SMILESCNCCC(C)(F)C1CCSCC1
InChIInChI=1S/C10H20FNS/c1-10(11,5-6-12-2)9-3-7-13-8-4-9/h9,12H,3-8H2,1-2H3
InChIKeyXGZNEGAUBHBDJD-UHFFFAOYSA-N
XLogP2.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-fluoro-N-methyl-3-(thian-4-yl)butan-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-N-methyl-3-(thian-4-yl)butan-1-amine?
The IUPAC name of 3-fluoro-N-methyl-3-(thian-4-yl)butan-1-amine (CID 105458275) is 3-fluoro-N-methyl-3-(thian-4-yl)butan-1-amine.
What is the SMILES notation for 3-fluoro-N-methyl-3-(thian-4-yl)butan-1-amine?
The canonical SMILES for 3-fluoro-N-methyl-3-(thian-4-yl)butan-1-amine is CNCCC(C)(F)C1CCSCC1.
What is the InChIKey of 3-fluoro-N-methyl-3-(thian-4-yl)butan-1-amine?
The InChIKey is XGZNEGAUBHBDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNS/c1-10(11,5-6-12-2)9-3-7-13-8-4-9/h9,12H,3-8H2,1-2H3.
What are the key properties of 3-fluoro-N-methyl-3-(thian-4-yl)butan-1-amine?
3-fluoro-N-methyl-3-(thian-4-yl)butan-1-amine has a molecular weight of 205.34 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-3-(thian-4-yl)butan-1-amine is sourced from PubChem (CID 105458275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).