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

C10H20FNS — CID 105458274

IUPAC3-fluoro-N-methyl-3-(thian-3-yl)butan-1-amine
SMILESCNCCC(C)(F)C1CCCSC1
InChIInChI=1S/C10H20FNS/c1-10(11,5-6-12-2)9-4-3-7-13-8-9/h9,12H,3-8H2,1-2H3
InChIKeyFSZUYOTZSHOJFO-UHFFFAOYSA-N
MW205.34 g/mol
LogP2.47
Rot. Bonds4

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

3-fluoro-N-methyl-3-(thian-3-yl)butan-1-amine (PubChem CID 105458274) has the molecular formula C10H20FNS and a molecular weight of 205.34 g/mol. Its IUPAC name is 3-fluoro-N-methyl-3-(thian-3-yl)butan-1-amine.

Molecular Properties

Compound Name3-fluoro-N-methyl-3-(thian-3-yl)butan-1-amine
PubChem CID105458274
Molecular FormulaC10H20FNS
Molecular Weight205.34 g/mol
Exact Mass205.13
IUPAC Name3-fluoro-N-methyl-3-(thian-3-yl)butan-1-amine
SMILESCNCCC(C)(F)C1CCCSC1
InChIInChI=1S/C10H20FNS/c1-10(11,5-6-12-2)9-4-3-7-13-8-9/h9,12H,3-8H2,1-2H3
InChIKeyFSZUYOTZSHOJFO-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

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Related Compounds

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3-Fluoro-3-(thian-4-yl)pyrrolidine
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4-Fluoro-4-(thian-4-yl)piperidine
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CID 83819655
4-[1-(2-Fluoroethylsulfanyl)ethyl]piperidine
CID 84020068
2-(4-fluorothian-4-yl)-N-methylethanamine
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2-(3-fluorothian-3-yl)-N-methylethanamine
CID 84732157
5,5,5-trifluoro-N-propyl-1-(thian-4-yl)pentan-2-amine
CID 105156308
5,5,5-trifluoro-N-methyl-1-(thian-4-yl)pentan-2-amine
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CID 105156512

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-3-(thian-3-yl)butan-1-amine?
The IUPAC name of 3-fluoro-N-methyl-3-(thian-3-yl)butan-1-amine (CID 105458274) is 3-fluoro-N-methyl-3-(thian-3-yl)butan-1-amine.
What is the SMILES notation for 3-fluoro-N-methyl-3-(thian-3-yl)butan-1-amine?
The canonical SMILES for 3-fluoro-N-methyl-3-(thian-3-yl)butan-1-amine is CNCCC(C)(F)C1CCCSC1.
What is the InChIKey of 3-fluoro-N-methyl-3-(thian-3-yl)butan-1-amine?
The InChIKey is FSZUYOTZSHOJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNS/c1-10(11,5-6-12-2)9-4-3-7-13-8-9/h9,12H,3-8H2,1-2H3.
What are the key properties of 3-fluoro-N-methyl-3-(thian-3-yl)butan-1-amine?
3-fluoro-N-methyl-3-(thian-3-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-3-yl)butan-1-amine is sourced from PubChem (CID 105458274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).