2-(2-fluorophenyl)sulfinyl-N-methylcycloheptan-1-amine

C14H20FNOS — CID 64658723

IUPAC2-(2-fluorophenyl)sulfinyl-N-methylcycloheptan-1-amine
SMILESCNC1CCCCCC1S(=O)c1ccccc1F
InChIInChI=1S/C14H20FNOS/c1-16-12-8-3-2-4-10-14(12)18(17)13-9-6-5-7-11(13)15/h5-7,9,12,14,16H,2-4,8,10H2,1H3
InChIKeyIDRFUQSACQISFX-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.85
Rot. Bonds3

About 2-(2-fluorophenyl)sulfinyl-N-methylcycloheptan-1-amine

2-(2-fluorophenyl)sulfinyl-N-methylcycloheptan-1-amine (PubChem CID 64658723) has the molecular formula C14H20FNOS and a molecular weight of 269.38 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfinyl-N-methylcycloheptan-1-amine.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfinyl-N-methylcycloheptan-1-amine
PubChem CID64658723
Molecular FormulaC14H20FNOS
Molecular Weight269.38 g/mol
Exact Mass269.12
IUPAC Name2-(2-fluorophenyl)sulfinyl-N-methylcycloheptan-1-amine
SMILESCNC1CCCCCC1S(=O)c1ccccc1F
InChIInChI=1S/C14H20FNOS/c1-16-12-8-3-2-4-10-14(12)18(17)13-9-6-5-7-11(13)15/h5-7,9,12,14,16H,2-4,8,10H2,1H3
InChIKeyIDRFUQSACQISFX-UHFFFAOYSA-N
XLogP2.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfinyl-N-methylcycloheptan-1-amine?
The IUPAC name of 2-(2-fluorophenyl)sulfinyl-N-methylcycloheptan-1-amine (CID 64658723) is 2-(2-fluorophenyl)sulfinyl-N-methylcycloheptan-1-amine.
What is the SMILES notation for 2-(2-fluorophenyl)sulfinyl-N-methylcycloheptan-1-amine?
The canonical SMILES for 2-(2-fluorophenyl)sulfinyl-N-methylcycloheptan-1-amine is CNC1CCCCCC1S(=O)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)sulfinyl-N-methylcycloheptan-1-amine?
The InChIKey is IDRFUQSACQISFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNOS/c1-16-12-8-3-2-4-10-14(12)18(17)13-9-6-5-7-11(13)15/h5-7,9,12,14,16H,2-4,8,10H2,1H3.
What are the key properties of 2-(2-fluorophenyl)sulfinyl-N-methylcycloheptan-1-amine?
2-(2-fluorophenyl)sulfinyl-N-methylcycloheptan-1-amine has a molecular weight of 269.38 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfinyl-N-methylcycloheptan-1-amine is sourced from PubChem (CID 64658723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).