[3-(2-fluoropropyl)thian-4-yl]methanamine

C9H18FNS — CID 115018810

IUPAC[3-(2-fluoropropyl)thian-4-yl]methanamine
SMILESCC(F)CC1CSCCC1CN
InChIInChI=1S/C9H18FNS/c1-7(10)4-9-6-12-3-2-8(9)5-11/h7-9H,2-6,11H2,1H3
InChIKeyUXAWENUIYHFHOE-UHFFFAOYSA-N
MW191.31 g/mol
LogP2.06
Rot. Bonds3

About [3-(2-fluoropropyl)thian-4-yl]methanamine

[3-(2-fluoropropyl)thian-4-yl]methanamine (PubChem CID 115018810) has the molecular formula C9H18FNS and a molecular weight of 191.31 g/mol. Its IUPAC name is [3-(2-fluoropropyl)thian-4-yl]methanamine.

Molecular Properties

Compound Name[3-(2-fluoropropyl)thian-4-yl]methanamine
PubChem CID115018810
Molecular FormulaC9H18FNS
Molecular Weight191.31 g/mol
Exact Mass191.11
IUPAC Name[3-(2-fluoropropyl)thian-4-yl]methanamine
SMILESCC(F)CC1CSCCC1CN
InChIInChI=1S/C9H18FNS/c1-7(10)4-9-6-12-3-2-8(9)5-11/h7-9H,2-6,11H2,1H3
InChIKeyUXAWENUIYHFHOE-UHFFFAOYSA-N
XLogP2.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.31
LogP ≤ 52.06
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-yl]methanamine?
The IUPAC name of [3-(2-fluoropropyl)thian-4-yl]methanamine (CID 115018810) is [3-(2-fluoropropyl)thian-4-yl]methanamine.
What is the SMILES notation for [3-(2-fluoropropyl)thian-4-yl]methanamine?
The canonical SMILES for [3-(2-fluoropropyl)thian-4-yl]methanamine is CC(F)CC1CSCCC1CN.
What is the InChIKey of [3-(2-fluoropropyl)thian-4-yl]methanamine?
The InChIKey is UXAWENUIYHFHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNS/c1-7(10)4-9-6-12-3-2-8(9)5-11/h7-9H,2-6,11H2,1H3.
What are the key properties of [3-(2-fluoropropyl)thian-4-yl]methanamine?
[3-(2-fluoropropyl)thian-4-yl]methanamine has a molecular weight of 191.31 g/mol, XLogP of 2.06, 3 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-yl]methanamine is sourced from PubChem (CID 115018810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).