(2S)-1-(4-fluorophenyl)sulfanylpropan-2-amine

C9H12FNS — CID 95436389

IUPAC(2S)-1-(4-fluorophenyl)sulfanylpropan-2-amine
SMILESC[C@H](N)CSc1ccc(F)cc1
InChIInChI=1S/C9H12FNS/c1-7(11)6-12-9-4-2-8(10)3-5-9/h2-5,7H,6,11H2,1H3/t7-/m0/s1
InChIKeyZJEDHNXAALCVAX-ZETCQYMHSA-N
MW185.27 g/mol
LogP2.27
Rot. Bonds3

About (2S)-1-(4-fluorophenyl)sulfanylpropan-2-amine

(2S)-1-(4-fluorophenyl)sulfanylpropan-2-amine (PubChem CID 95436389) has the molecular formula C9H12FNS and a molecular weight of 185.27 g/mol. Its IUPAC name is (2S)-1-(4-fluorophenyl)sulfanylpropan-2-amine.

Molecular Properties

Compound Name(2S)-1-(4-fluorophenyl)sulfanylpropan-2-amine
PubChem CID95436389
Molecular FormulaC9H12FNS
Molecular Weight185.27 g/mol
Exact Mass185.07
IUPAC Name(2S)-1-(4-fluorophenyl)sulfanylpropan-2-amine
SMILESC[C@H](N)CSc1ccc(F)cc1
InChIInChI=1S/C9H12FNS/c1-7(11)6-12-9-4-2-8(10)3-5-9/h2-5,7H,6,11H2,1H3/t7-/m0/s1
InChIKeyZJEDHNXAALCVAX-ZETCQYMHSA-N
XLogP2.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(4-bromophenyl)sulfanylpropan-2-amine
CID 95457418
(2R)-1-(3-fluorophenyl)sulfanylpropan-2-amine
CID 104889284
4-(2-aminopropylsulfanyl)-2-fluoroaniline
CID 102689536
1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)sulfanylethanamine
CID 66071589
2-(4-fluorophenyl)sulfanyl-1-thiophen-3-ylethanamine
CID 66072212
1-(2,6-difluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-amine
CID 114932196
2-ethoxy-3-(4-fluorophenyl)sulfanylpropan-1-amine
CID 63070443
2-(4-fluorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanamine
CID 66271230
1-(4-fluorophenyl)sulfanyl-3-(2-methylpropylamino)propan-2-ol
CID 113317842
1-(4-fluorophenyl)sulfanyl-3-(2-methoxyphenyl)propan-2-amine
CID 66070984
1-(3,4-dimethylcyclohexyl)-2-(4-fluorophenyl)sulfanylethanamine
CID 66070153
6-(4-fluorophenyl)sulfanyl-5-methylhex-3-en-2-one
CID 57001829

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-fluorophenyl)sulfanylpropan-2-amine?
The IUPAC name of (2S)-1-(4-fluorophenyl)sulfanylpropan-2-amine (CID 95436389) is (2S)-1-(4-fluorophenyl)sulfanylpropan-2-amine.
What is the SMILES notation for (2S)-1-(4-fluorophenyl)sulfanylpropan-2-amine?
The canonical SMILES for (2S)-1-(4-fluorophenyl)sulfanylpropan-2-amine is C[C@H](N)CSc1ccc(F)cc1.
What is the InChIKey of (2S)-1-(4-fluorophenyl)sulfanylpropan-2-amine?
The InChIKey is ZJEDHNXAALCVAX-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H12FNS/c1-7(11)6-12-9-4-2-8(10)3-5-9/h2-5,7H,6,11H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-1-(4-fluorophenyl)sulfanylpropan-2-amine?
(2S)-1-(4-fluorophenyl)sulfanylpropan-2-amine has a molecular weight of 185.27 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-fluorophenyl)sulfanylpropan-2-amine is sourced from PubChem (CID 95436389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).