(1R)-2-methyl-1-(3-methylsulfonylphenyl)propan-1-amine;hydrochloride

C11H18ClNO2S — CID 162344134

IUPAC(1R)-2-methyl-1-(3-methylsulfonylphenyl)propan-1-amine;hydrochloride
SMILESCC(C)[C@@H](N)c1cccc(S(C)(=O)=O)c1.Cl
InChIInChI=1S/C11H17NO2S.ClH/c1-8(2)11(12)9-5-4-6-10(7-9)15(3,13)14;/h4-8,11H,12H2,1-3H3;1H/t11-;/m1./s1
InChIKeyWXICODIGGHGFIJ-RFVHGSKJSA-N
MW263.79 g/mol
LogP2.17
Rot. Bonds3

About (1R)-2-methyl-1-(3-methylsulfonylphenyl)propan-1-amine;hydrochloride

(1R)-2-methyl-1-(3-methylsulfonylphenyl)propan-1-amine;hydrochloride (PubChem CID 162344134) has the molecular formula C11H18ClNO2S and a molecular weight of 263.79 g/mol. Its IUPAC name is (1R)-2-methyl-1-(3-methylsulfonylphenyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-2-methyl-1-(3-methylsulfonylphenyl)propan-1-amine;hydrochloride
PubChem CID162344134
Molecular FormulaC11H18ClNO2S
Molecular Weight263.79 g/mol
Exact Mass263.07
IUPAC Name(1R)-2-methyl-1-(3-methylsulfonylphenyl)propan-1-amine;hydrochloride
SMILESCC(C)[C@@H](N)c1cccc(S(C)(=O)=O)c1.Cl
InChIInChI=1S/C11H17NO2S.ClH/c1-8(2)11(12)9-5-4-6-10(7-9)15(3,13)14;/h4-8,11H,12H2,1-3H3;1H/t11-;/m1./s1
InChIKeyWXICODIGGHGFIJ-RFVHGSKJSA-N
XLogP2.17
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.79
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 105017402
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(2R)-2-amino-2-(3-methylsulfonylphenyl)ethanol;hydrochloride
CID 127264657
1-(3-methylsulfonylphenyl)propan-1-amine
CID 66935160
(1R)-1-[3-(3-methylsulfonylphenyl)phenyl]ethanamine
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N-methyl-1-(3-methylsulfonylphenyl)ethanamine
CID 112704192
(1R)-N-methyl-1-(3-methylsulfonylphenyl)ethanamine
CID 130699454
(3-chlorophenyl)-(3-methylsulfonylphenyl)methanamine
CID 115811597
2-methoxy-1-(3-methylsulfonylphenyl)ethanamine
CID 112693329
(3-methylsulfonylphenyl)-(2,4,6-trimethylphenyl)methanamine
CID 43110476
3-amino-3-(3-methylsulfonylphenyl)propanoic acid
CID 117359940

Frequently Asked Questions

What is the IUPAC name of (1R)-2-methyl-1-(3-methylsulfonylphenyl)propan-1-amine;hydrochloride?
The IUPAC name of (1R)-2-methyl-1-(3-methylsulfonylphenyl)propan-1-amine;hydrochloride (CID 162344134) is (1R)-2-methyl-1-(3-methylsulfonylphenyl)propan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-2-methyl-1-(3-methylsulfonylphenyl)propan-1-amine;hydrochloride?
The canonical SMILES for (1R)-2-methyl-1-(3-methylsulfonylphenyl)propan-1-amine;hydrochloride is CC(C)[C@@H](N)c1cccc(S(C)(=O)=O)c1.Cl.
What is the InChIKey of (1R)-2-methyl-1-(3-methylsulfonylphenyl)propan-1-amine;hydrochloride?
The InChIKey is WXICODIGGHGFIJ-RFVHGSKJSA-N. The full InChI is InChI=1S/C11H17NO2S.ClH/c1-8(2)11(12)9-5-4-6-10(7-9)15(3,13)14;/h4-8,11H,12H2,1-3H3;1H/t11-;/m1./s1.
What are the key properties of (1R)-2-methyl-1-(3-methylsulfonylphenyl)propan-1-amine;hydrochloride?
(1R)-2-methyl-1-(3-methylsulfonylphenyl)propan-1-amine;hydrochloride has a molecular weight of 263.79 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-methyl-1-(3-methylsulfonylphenyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 162344134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).