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

C10H20FNS — CID 115024366

IUPAC4-fluoro-3-(thian-3-yl)pentan-1-amine
SMILESCC(F)C(CCN)C1CCCSC1
InChIInChI=1S/C10H20FNS/c1-8(11)10(4-5-12)9-3-2-6-13-7-9/h8-10H,2-7,12H2,1H3
InChIKeyMGIITIDKESRYTH-UHFFFAOYSA-N
MW205.34 g/mol
LogP2.45
Rot. Bonds4

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

4-fluoro-3-(thian-3-yl)pentan-1-amine (PubChem CID 115024366) has the molecular formula C10H20FNS and a molecular weight of 205.34 g/mol. Its IUPAC name is 4-fluoro-3-(thian-3-yl)pentan-1-amine.

Molecular Properties

Compound Name4-fluoro-3-(thian-3-yl)pentan-1-amine
PubChem CID115024366
Molecular FormulaC10H20FNS
Molecular Weight205.34 g/mol
Exact Mass205.13
IUPAC Name4-fluoro-3-(thian-3-yl)pentan-1-amine
SMILESCC(F)C(CCN)C1CCCSC1
InChIInChI=1S/C10H20FNS/c1-8(11)10(4-5-12)9-3-2-6-13-7-9/h8-10H,2-7,12H2,1H3
InChIKeyMGIITIDKESRYTH-UHFFFAOYSA-N
XLogP2.45
TPSA26.02 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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 173844600
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CID 62721727
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CID 83821290
CID 83821290
CID 84731544
CID 84731544
CID 84732157
CID 84732157
CID 84764719
CID 84764719
CID 84782840
CID 84782840
CID 84782841
CID 84782841
CID 105432263
CID 105432263

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(thian-3-yl)pentan-1-amine?
The IUPAC name of 4-fluoro-3-(thian-3-yl)pentan-1-amine (CID 115024366) is 4-fluoro-3-(thian-3-yl)pentan-1-amine.
What is the SMILES notation for 4-fluoro-3-(thian-3-yl)pentan-1-amine?
The canonical SMILES for 4-fluoro-3-(thian-3-yl)pentan-1-amine is CC(F)C(CCN)C1CCCSC1.
What is the InChIKey of 4-fluoro-3-(thian-3-yl)pentan-1-amine?
The InChIKey is MGIITIDKESRYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNS/c1-8(11)10(4-5-12)9-3-2-6-13-7-9/h8-10H,2-7,12H2,1H3.
What are the key properties of 4-fluoro-3-(thian-3-yl)pentan-1-amine?
4-fluoro-3-(thian-3-yl)pentan-1-amine has a molecular weight of 205.34 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(thian-3-yl)pentan-1-amine is sourced from PubChem (CID 115024366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).