4-(4-fluorophenyl)sulfinyl-N-methylbutan-1-amine

C11H16FNOS — CID 142725970

IUPAC4-(4-fluorophenyl)sulfinyl-N-methylbutan-1-amine
SMILESCNCCCCS(=O)c1ccc(F)cc1
InChIInChI=1S/C11H16FNOS/c1-13-8-2-3-9-15(14)11-6-4-10(12)5-7-11/h4-7,13H,2-3,8-9H2,1H3
InChIKeyGJCYSJBDOXZYGD-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.93
Rot. Bonds6

About 4-(4-fluorophenyl)sulfinyl-N-methylbutan-1-amine

4-(4-fluorophenyl)sulfinyl-N-methylbutan-1-amine (PubChem CID 142725970) has the molecular formula C11H16FNOS and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfinyl-N-methylbutan-1-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfinyl-N-methylbutan-1-amine
PubChem CID142725970
Molecular FormulaC11H16FNOS
Molecular Weight229.32 g/mol
Exact Mass229.09
IUPAC Name4-(4-fluorophenyl)sulfinyl-N-methylbutan-1-amine
SMILESCNCCCCS(=O)c1ccc(F)cc1
InChIInChI=1S/C11H16FNOS/c1-13-8-2-3-9-15(14)11-6-4-10(12)5-7-11/h4-7,13H,2-3,8-9H2,1H3
InChIKeyGJCYSJBDOXZYGD-UHFFFAOYSA-N
XLogP1.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)sulfinyl-N-methylbutan-1-amine?
The IUPAC name of 4-(4-fluorophenyl)sulfinyl-N-methylbutan-1-amine (CID 142725970) is 4-(4-fluorophenyl)sulfinyl-N-methylbutan-1-amine.
What is the SMILES notation for 4-(4-fluorophenyl)sulfinyl-N-methylbutan-1-amine?
The canonical SMILES for 4-(4-fluorophenyl)sulfinyl-N-methylbutan-1-amine is CNCCCCS(=O)c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)sulfinyl-N-methylbutan-1-amine?
The InChIKey is GJCYSJBDOXZYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNOS/c1-13-8-2-3-9-15(14)11-6-4-10(12)5-7-11/h4-7,13H,2-3,8-9H2,1H3.
What are the key properties of 4-(4-fluorophenyl)sulfinyl-N-methylbutan-1-amine?
4-(4-fluorophenyl)sulfinyl-N-methylbutan-1-amine has a molecular weight of 229.32 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)sulfinyl-N-methylbutan-1-amine is sourced from PubChem (CID 142725970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).