3-(2-fluoropropyl)thian-4-amine

C8H16FNS — CID 115015002

IUPAC3-(2-fluoropropyl)thian-4-amine
SMILESCC(F)CC1CSCCC1N
InChIInChI=1S/C8H16FNS/c1-6(9)4-7-5-11-3-2-8(7)10/h6-8H,2-5,10H2,1H3
InChIKeyPUEJTZDUVLNMIK-UHFFFAOYSA-N
MW177.29 g/mol
LogP1.81
Rot. Bonds2

About 3-(2-fluoropropyl)thian-4-amine

3-(2-fluoropropyl)thian-4-amine (PubChem CID 115015002) has the molecular formula C8H16FNS and a molecular weight of 177.29 g/mol. Its IUPAC name is 3-(2-fluoropropyl)thian-4-amine.

Molecular Properties

Compound Name3-(2-fluoropropyl)thian-4-amine
PubChem CID115015002
Molecular FormulaC8H16FNS
Molecular Weight177.29 g/mol
Exact Mass177.10
IUPAC Name3-(2-fluoropropyl)thian-4-amine
SMILESCC(F)CC1CSCCC1N
InChIInChI=1S/C8H16FNS/c1-6(9)4-7-5-11-3-2-8(7)10/h6-8H,2-5,10H2,1H3
InChIKeyPUEJTZDUVLNMIK-UHFFFAOYSA-N
XLogP1.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoropropyl)thian-4-amine?
The IUPAC name of 3-(2-fluoropropyl)thian-4-amine (CID 115015002) is 3-(2-fluoropropyl)thian-4-amine.
What is the SMILES notation for 3-(2-fluoropropyl)thian-4-amine?
The canonical SMILES for 3-(2-fluoropropyl)thian-4-amine is CC(F)CC1CSCCC1N.
What is the InChIKey of 3-(2-fluoropropyl)thian-4-amine?
The InChIKey is PUEJTZDUVLNMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNS/c1-6(9)4-7-5-11-3-2-8(7)10/h6-8H,2-5,10H2,1H3.
What are the key properties of 3-(2-fluoropropyl)thian-4-amine?
3-(2-fluoropropyl)thian-4-amine has a molecular weight of 177.29 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoropropyl)thian-4-amine is sourced from PubChem (CID 115015002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).