(1S)-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride

C10H16ClNO2S — CID 162344090

IUPAC(1S)-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride
SMILESCC[C@H](N)c1ccc(S(C)(=O)=O)cc1.Cl
InChIInChI=1S/C10H15NO2S.ClH/c1-3-10(11)8-4-6-9(7-5-8)14(2,12)13;/h4-7,10H,3,11H2,1-2H3;1H/t10-;/m0./s1
InChIKeyQQFMYVCGLZUZMC-PPHPATTJSA-N
MW249.76 g/mol
LogP1.92
Rot. Bonds3

About (1S)-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride

(1S)-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride (PubChem CID 162344090) has the molecular formula C10H16ClNO2S and a molecular weight of 249.76 g/mol. Its IUPAC name is (1S)-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride
PubChem CID162344090
Molecular FormulaC10H16ClNO2S
Molecular Weight249.76 g/mol
Exact Mass249.06
IUPAC Name(1S)-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride
SMILESCC[C@H](N)c1ccc(S(C)(=O)=O)cc1.Cl
InChIInChI=1S/C10H15NO2S.ClH/c1-3-10(11)8-4-6-9(7-5-8)14(2,12)13;/h4-7,10H,3,11H2,1-2H3;1H/t10-;/m0./s1
InChIKeyQQFMYVCGLZUZMC-PPHPATTJSA-N
XLogP1.92
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.76
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-2-(4-methylsulfonylphenyl)ethanol;hydrochloride
CID 142503487
1-(4-methylsulfonylphenyl)pentan-1-amine;hydrochloride
CID 162344236
(1R)-2-methyl-1-(4-methylsulfonylphenyl)butan-1-amine;hydrochloride
CID 171198410
(1R)-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride
CID 171198397
(1R)-3,3,3-trifluoro-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride
CID 171198393
(1S)-3-methyl-1-(4-methylsulfonylphenyl)butan-1-amine
CID 96590996
1-(4-methylsulfonylphenyl)hexan-1-amine
CID 115837394
methyl (3R)-3-amino-3-(4-methylsulfonylphenyl)propanoate;hydrochloride
CID 171245659
(1S)-2-methyl-1-(4-methylsulfonylphenyl)butan-1-amine
CID 171217927
(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)but-3-en-1-amine;hydrochloride
CID 171217926

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride?
The IUPAC name of (1S)-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride (CID 162344090) is (1S)-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride?
The canonical SMILES for (1S)-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride is CC[C@H](N)c1ccc(S(C)(=O)=O)cc1.Cl.
What is the InChIKey of (1S)-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride?
The InChIKey is QQFMYVCGLZUZMC-PPHPATTJSA-N. The full InChI is InChI=1S/C10H15NO2S.ClH/c1-3-10(11)8-4-6-9(7-5-8)14(2,12)13;/h4-7,10H,3,11H2,1-2H3;1H/t10-;/m0./s1.
What are the key properties of (1S)-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride?
(1S)-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride has a molecular weight of 249.76 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 162344090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).