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

C10H14FNS — CID 13062520

IUPAC(2S)-1-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine
SMILESCN[C@@H](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/t8-/m0/s1
InChIKeyFCLGTOGSGWYTGD-QMMMGPOBSA-N
MW199.29 g/mol
LogP2.53
Rot. Bonds4

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

(2S)-1-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine (PubChem CID 13062520) has the molecular formula C10H14FNS and a molecular weight of 199.29 g/mol. Its IUPAC name is (2S)-1-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine.

Molecular Properties

Compound Name(2S)-1-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine
PubChem CID13062520
Molecular FormulaC10H14FNS
Molecular Weight199.29 g/mol
Exact Mass199.08
IUPAC Name(2S)-1-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine
SMILESCN[C@@H](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/t8-/m0/s1
InChIKeyFCLGTOGSGWYTGD-QMMMGPOBSA-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 (2S)-1-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine?
The IUPAC name of (2S)-1-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine (CID 13062520) is (2S)-1-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine.
What is the SMILES notation for (2S)-1-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine?
The canonical SMILES for (2S)-1-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine is CN[C@@H](C)CSc1ccc(F)cc1.
What is the InChIKey of (2S)-1-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine?
The InChIKey is FCLGTOGSGWYTGD-QMMMGPOBSA-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/t8-/m0/s1.
What are the key properties of (2S)-1-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine?
(2S)-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 (2S)-1-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine is sourced from PubChem (CID 13062520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).