(1R)-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride

C10H15ClFNO2S — CID 171198397

IUPAC(1R)-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride
SMILESCS(=O)(=O)c1ccc([C@H](N)CCF)cc1.Cl
InChIInChI=1S/C10H14FNO2S.ClH/c1-15(13,14)9-4-2-8(3-5-9)10(12)6-7-11;/h2-5,10H,6-7,12H2,1H3;1H/t10-;/m1./s1
InChIKeyJXDKIQSPAYBCHN-HNCPQSOCSA-N
MW267.75 g/mol
LogP1.87
Rot. Bonds4

About (1R)-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride

(1R)-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride (PubChem CID 171198397) has the molecular formula C10H15ClFNO2S and a molecular weight of 267.75 g/mol. Its IUPAC name is (1R)-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride
PubChem CID171198397
Molecular FormulaC10H15ClFNO2S
Molecular Weight267.75 g/mol
Exact Mass267.05
IUPAC Name(1R)-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride
SMILESCS(=O)(=O)c1ccc([C@H](N)CCF)cc1.Cl
InChIInChI=1S/C10H14FNO2S.ClH/c1-15(13,14)9-4-2-8(3-5-9)10(12)6-7-11;/h2-5,10H,6-7,12H2,1H3;1H/t10-;/m1./s1
InChIKeyJXDKIQSPAYBCHN-HNCPQSOCSA-N
XLogP1.87
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.75
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-4,4,4-trifluoro-1-(4-methylsulfonylphenyl)butan-1-amine;hydrochloride
CID 171217913
(1S)-4,4,4-trifluoro-1-(4-methylsulfonylphenyl)butan-1-amine
CID 171217912
1-(4-methylsulfonylphenyl)pentan-1-amine;hydrochloride
CID 162344236
(1S)-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride
CID 162344090
(1R)-3,3,3-trifluoro-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride
CID 171198393
(2R)-2-amino-2-(4-methylsulfonylphenyl)ethanol;hydrochloride
CID 142503487
1-(4-methylsulfonylphenyl)hexan-1-amine
CID 115837394
(1R)-3,3,3-trifluoro-1-(4-methylsulfonylphenyl)propan-1-amine
CID 171198392
(1S)-3,3-difluoro-1-(4-methylsulfonylphenyl)propan-1-amine
CID 171312805
(1S)-3-methyl-1-(4-methylsulfonylphenyl)butan-1-amine
CID 96590996
methyl (3R)-3-amino-3-(4-methylsulfonylphenyl)propanoate;hydrochloride
CID 171245659
(1S)-3-methyl-1-(4-methylsulfonylphenyl)but-3-en-1-amine;hydrochloride
CID 171217926

Frequently Asked Questions

What is the IUPAC name of (1R)-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride?
The IUPAC name of (1R)-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride (CID 171198397) is (1R)-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride?
The canonical SMILES for (1R)-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride is CS(=O)(=O)c1ccc([C@H](N)CCF)cc1.Cl.
What is the InChIKey of (1R)-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride?
The InChIKey is JXDKIQSPAYBCHN-HNCPQSOCSA-N. The full InChI is InChI=1S/C10H14FNO2S.ClH/c1-15(13,14)9-4-2-8(3-5-9)10(12)6-7-11;/h2-5,10H,6-7,12H2,1H3;1H/t10-;/m1./s1.
What are the key properties of (1R)-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride?
(1R)-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride has a molecular weight of 267.75 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 171198397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).