[1-(3-fluorophenyl)sulfanylcyclobutyl]methanamine

C11H14FNS — CID 66070793

IUPAC[1-(3-fluorophenyl)sulfanylcyclobutyl]methanamine
SMILESNCC1(Sc2cccc(F)c2)CCC1
InChIInChI=1S/C11H14FNS/c12-9-3-1-4-10(7-9)14-11(8-13)5-2-6-11/h1,3-4,7H,2,5-6,8,13H2
InChIKeyUEMCRTOAWRIOOE-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.80
Rot. Bonds3

About [1-(3-fluorophenyl)sulfanylcyclobutyl]methanamine

[1-(3-fluorophenyl)sulfanylcyclobutyl]methanamine (PubChem CID 66070793) has the molecular formula C11H14FNS and a molecular weight of 211.31 g/mol. Its IUPAC name is [1-(3-fluorophenyl)sulfanylcyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(3-fluorophenyl)sulfanylcyclobutyl]methanamine
PubChem CID66070793
Molecular FormulaC11H14FNS
Molecular Weight211.31 g/mol
Exact Mass211.08
IUPAC Name[1-(3-fluorophenyl)sulfanylcyclobutyl]methanamine
SMILESNCC1(Sc2cccc(F)c2)CCC1
InChIInChI=1S/C11H14FNS/c12-9-3-1-4-10(7-9)14-11(8-13)5-2-6-11/h1,3-4,7H,2,5-6,8,13H2
InChIKeyUEMCRTOAWRIOOE-UHFFFAOYSA-N
XLogP2.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(3-fluorophenyl)sulfanylcyclobutyl]methanamine?
The IUPAC name of [1-(3-fluorophenyl)sulfanylcyclobutyl]methanamine (CID 66070793) is [1-(3-fluorophenyl)sulfanylcyclobutyl]methanamine.
What is the SMILES notation for [1-(3-fluorophenyl)sulfanylcyclobutyl]methanamine?
The canonical SMILES for [1-(3-fluorophenyl)sulfanylcyclobutyl]methanamine is NCC1(Sc2cccc(F)c2)CCC1.
What is the InChIKey of [1-(3-fluorophenyl)sulfanylcyclobutyl]methanamine?
The InChIKey is UEMCRTOAWRIOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNS/c12-9-3-1-4-10(7-9)14-11(8-13)5-2-6-11/h1,3-4,7H,2,5-6,8,13H2.
What are the key properties of [1-(3-fluorophenyl)sulfanylcyclobutyl]methanamine?
[1-(3-fluorophenyl)sulfanylcyclobutyl]methanamine has a molecular weight of 211.31 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluorophenyl)sulfanylcyclobutyl]methanamine is sourced from PubChem (CID 66070793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).