2-(3-fluorothiolan-3-yl)-N-methylethanamine

C7H14FNS — CID 84731545

IUPAC2-(3-fluorothiolan-3-yl)-N-methylethanamine
SMILESCNCCC1(F)CCSC1
InChIInChI=1S/C7H14FNS/c1-9-4-2-7(8)3-5-10-6-7/h9H,2-6H2,1H3
InChIKeyXWZRJUNYROXJIZ-UHFFFAOYSA-N
MW163.26 g/mol
LogP1.44
Rot. Bonds3

About 2-(3-fluorothiolan-3-yl)-N-methylethanamine

2-(3-fluorothiolan-3-yl)-N-methylethanamine (PubChem CID 84731545) has the molecular formula C7H14FNS and a molecular weight of 163.26 g/mol. Its IUPAC name is 2-(3-fluorothiolan-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-fluorothiolan-3-yl)-N-methylethanamine
PubChem CID84731545
Molecular FormulaC7H14FNS
Molecular Weight163.26 g/mol
Exact Mass163.08
IUPAC Name2-(3-fluorothiolan-3-yl)-N-methylethanamine
SMILESCNCCC1(F)CCSC1
InChIInChI=1S/C7H14FNS/c1-9-4-2-7(8)3-5-10-6-7/h9H,2-6H2,1H3
InChIKeyXWZRJUNYROXJIZ-UHFFFAOYSA-N
XLogP1.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorothiolan-3-yl)-N-methylethanamine?
The IUPAC name of 2-(3-fluorothiolan-3-yl)-N-methylethanamine (CID 84731545) is 2-(3-fluorothiolan-3-yl)-N-methylethanamine.
What is the SMILES notation for 2-(3-fluorothiolan-3-yl)-N-methylethanamine?
The canonical SMILES for 2-(3-fluorothiolan-3-yl)-N-methylethanamine is CNCCC1(F)CCSC1.
What is the InChIKey of 2-(3-fluorothiolan-3-yl)-N-methylethanamine?
The InChIKey is XWZRJUNYROXJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNS/c1-9-4-2-7(8)3-5-10-6-7/h9H,2-6H2,1H3.
What are the key properties of 2-(3-fluorothiolan-3-yl)-N-methylethanamine?
2-(3-fluorothiolan-3-yl)-N-methylethanamine has a molecular weight of 163.26 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorothiolan-3-yl)-N-methylethanamine is sourced from PubChem (CID 84731545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).