1-(3-fluorothiolan-3-yl)-N-methylmethanamine

C6H12FNS — CID 84731240

IUPAC1-(3-fluorothiolan-3-yl)-N-methylmethanamine
SMILESCNCC1(F)CCSC1
InChIInChI=1S/C6H12FNS/c1-8-4-6(7)2-3-9-5-6/h8H,2-5H2,1H3
InChIKeyGQCIYQIAQBOFHK-UHFFFAOYSA-N
MW149.23 g/mol
LogP1.05
Rot. Bonds2

About 1-(3-fluorothiolan-3-yl)-N-methylmethanamine

1-(3-fluorothiolan-3-yl)-N-methylmethanamine (PubChem CID 84731240) has the molecular formula C6H12FNS and a molecular weight of 149.23 g/mol. Its IUPAC name is 1-(3-fluorothiolan-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-fluorothiolan-3-yl)-N-methylmethanamine
PubChem CID84731240
Molecular FormulaC6H12FNS
Molecular Weight149.23 g/mol
Exact Mass149.07
IUPAC Name1-(3-fluorothiolan-3-yl)-N-methylmethanamine
SMILESCNCC1(F)CCSC1
InChIInChI=1S/C6H12FNS/c1-8-4-6(7)2-3-9-5-6/h8H,2-5H2,1H3
InChIKeyGQCIYQIAQBOFHK-UHFFFAOYSA-N
XLogP1.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.23
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorothiolan-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-fluorothiolan-3-yl)-N-methylmethanamine (CID 84731240) is 1-(3-fluorothiolan-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-fluorothiolan-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-fluorothiolan-3-yl)-N-methylmethanamine is CNCC1(F)CCSC1.
What is the InChIKey of 1-(3-fluorothiolan-3-yl)-N-methylmethanamine?
The InChIKey is GQCIYQIAQBOFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNS/c1-8-4-6(7)2-3-9-5-6/h8H,2-5H2,1H3.
What are the key properties of 1-(3-fluorothiolan-3-yl)-N-methylmethanamine?
1-(3-fluorothiolan-3-yl)-N-methylmethanamine has a molecular weight of 149.23 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorothiolan-3-yl)-N-methylmethanamine is sourced from PubChem (CID 84731240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).