1-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine

C10H14FNS — CID 10081478

IUPAC1-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine
SMILESCNC(C)CSc1ccc(F)cc1
InChIInChI=1S/C10H14FNS/c1-8(12-2)7-13-10-5-3-9(11)4-6-10/h3-6,8,12H,7H2,1-2H3
InChIKeyFCLGTOGSGWYTGD-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.53
Rot. Bonds4

About 1-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine

1-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine (PubChem CID 10081478) has the molecular formula C10H14FNS and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine
PubChem CID10081478
Molecular FormulaC10H14FNS
Molecular Weight199.29 g/mol
Exact Mass199.08
IUPAC Name1-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine
SMILESCNC(C)CSc1ccc(F)cc1
InChIInChI=1S/C10H14FNS/c1-8(12-2)7-13-10-5-3-9(11)4-6-10/h3-6,8,12H,7H2,1-2H3
InChIKeyFCLGTOGSGWYTGD-UHFFFAOYSA-N
XLogP2.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine (CID 10081478) is 1-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine is CNC(C)CSc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine?
The InChIKey is FCLGTOGSGWYTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNS/c1-8(12-2)7-13-10-5-3-9(11)4-6-10/h3-6,8,12H,7H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine?
1-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine has a molecular weight of 199.29 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine is sourced from PubChem (CID 10081478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).