(2S)-1-fluoro-3-(4-methylphenyl)sulfanylpropan-2-amine

C10H14FNS — CID 167298818

IUPAC(2S)-1-fluoro-3-(4-methylphenyl)sulfanylpropan-2-amine
SMILESCc1ccc(SC[C@@H](N)CF)cc1
InChIInChI=1S/C10H14FNS/c1-8-2-4-10(5-3-8)13-7-9(12)6-11/h2-5,9H,6-7,12H2,1H3/t9-/m0/s1
InChIKeyUZPPEJVQJPPZPK-VIFPVBQESA-N
MW199.29 g/mol
LogP2.38
Rot. Bonds4

About (2S)-1-fluoro-3-(4-methylphenyl)sulfanylpropan-2-amine

(2S)-1-fluoro-3-(4-methylphenyl)sulfanylpropan-2-amine (PubChem CID 167298818) has the molecular formula C10H14FNS and a molecular weight of 199.29 g/mol. Its IUPAC name is (2S)-1-fluoro-3-(4-methylphenyl)sulfanylpropan-2-amine.

Molecular Properties

Compound Name(2S)-1-fluoro-3-(4-methylphenyl)sulfanylpropan-2-amine
PubChem CID167298818
Molecular FormulaC10H14FNS
Molecular Weight199.29 g/mol
Exact Mass199.08
IUPAC Name(2S)-1-fluoro-3-(4-methylphenyl)sulfanylpropan-2-amine
SMILESCc1ccc(SC[C@@H](N)CF)cc1
InChIInChI=1S/C10H14FNS/c1-8-2-4-10(5-3-8)13-7-9(12)6-11/h2-5,9H,6-7,12H2,1H3/t9-/m0/s1
InChIKeyUZPPEJVQJPPZPK-VIFPVBQESA-N
XLogP2.38
TPSA26.02 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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-fluoro-3-(4-methylphenyl)sulfanylpropan-2-amine?
The IUPAC name of (2S)-1-fluoro-3-(4-methylphenyl)sulfanylpropan-2-amine (CID 167298818) is (2S)-1-fluoro-3-(4-methylphenyl)sulfanylpropan-2-amine.
What is the SMILES notation for (2S)-1-fluoro-3-(4-methylphenyl)sulfanylpropan-2-amine?
The canonical SMILES for (2S)-1-fluoro-3-(4-methylphenyl)sulfanylpropan-2-amine is Cc1ccc(SC[C@@H](N)CF)cc1.
What is the InChIKey of (2S)-1-fluoro-3-(4-methylphenyl)sulfanylpropan-2-amine?
The InChIKey is UZPPEJVQJPPZPK-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14FNS/c1-8-2-4-10(5-3-8)13-7-9(12)6-11/h2-5,9H,6-7,12H2,1H3/t9-/m0/s1.
What are the key properties of (2S)-1-fluoro-3-(4-methylphenyl)sulfanylpropan-2-amine?
(2S)-1-fluoro-3-(4-methylphenyl)sulfanylpropan-2-amine has a molecular weight of 199.29 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-fluoro-3-(4-methylphenyl)sulfanylpropan-2-amine is sourced from PubChem (CID 167298818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).