(1R)-2-methyl-1-(4-methylsulfonylphenyl)butan-1-amine;hydrochloride

C12H20ClNO2S — CID 171198410

IUPAC(1R)-2-methyl-1-(4-methylsulfonylphenyl)butan-1-amine;hydrochloride
SMILESCCC(C)[C@@H](N)c1ccc(S(C)(=O)=O)cc1.Cl
InChIInChI=1S/C12H19NO2S.ClH/c1-4-9(2)12(13)10-5-7-11(8-6-10)16(3,14)15;/h5-9,12H,4,13H2,1-3H3;1H/t9?,12-;/m1./s1
InChIKeyHWSKRMKBQDOORN-ZHWMGRLRSA-N
MW277.82 g/mol
LogP2.56
Rot. Bonds4

About (1R)-2-methyl-1-(4-methylsulfonylphenyl)butan-1-amine;hydrochloride

(1R)-2-methyl-1-(4-methylsulfonylphenyl)butan-1-amine;hydrochloride (PubChem CID 171198410) has the molecular formula C12H20ClNO2S and a molecular weight of 277.82 g/mol. Its IUPAC name is (1R)-2-methyl-1-(4-methylsulfonylphenyl)butan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-2-methyl-1-(4-methylsulfonylphenyl)butan-1-amine;hydrochloride
PubChem CID171198410
Molecular FormulaC12H20ClNO2S
Molecular Weight277.82 g/mol
Exact Mass277.09
IUPAC Name(1R)-2-methyl-1-(4-methylsulfonylphenyl)butan-1-amine;hydrochloride
SMILESCCC(C)[C@@H](N)c1ccc(S(C)(=O)=O)cc1.Cl
InChIInChI=1S/C12H19NO2S.ClH/c1-4-9(2)12(13)10-5-7-11(8-6-10)16(3,14)15;/h5-9,12H,4,13H2,1-3H3;1H/t9?,12-;/m1./s1
InChIKeyHWSKRMKBQDOORN-ZHWMGRLRSA-N
XLogP2.56
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.82
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-2-methyl-1-(4-methylsulfonylphenyl)butan-1-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-2-methyl-1-(4-methylsulfonylphenyl)butan-1-amine
CID 171217927
2-methyl-1-(4-methylsulfonylphenyl)propane-1,3-diamine
CID 116933127
(1S)-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride
CID 162344090
2-methyl-1-(3-methylsulfonylphenyl)butan-1-amine
CID 105017402
(1R)-2-methyl-1-(4-nitrophenyl)butan-1-amine;hydrochloride
CID 171198272
(2S)-2-amino-3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pentanamide
CID 61252821
(1R)-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride
CID 171198397
(2S,3S)-2-amino-3-methyl-N-(4-methylsulfonylphenyl)pentanamide
CID 61148897
(1R)-1-(4-bromophenyl)-2-methylbutan-1-amine
CID 131011695
(1R)-1-(4-fluorophenyl)-2-methylbutan-1-amine
CID 131025596
(2R)-2-amino-2-(4-methylsulfonylphenyl)ethanol;hydrochloride
CID 142503487
(1S)-3-methyl-1-(4-methylsulfonylphenyl)butan-1-amine
CID 96590996

Frequently Asked Questions

What is the IUPAC name of (1R)-2-methyl-1-(4-methylsulfonylphenyl)butan-1-amine;hydrochloride?
The IUPAC name of (1R)-2-methyl-1-(4-methylsulfonylphenyl)butan-1-amine;hydrochloride (CID 171198410) is (1R)-2-methyl-1-(4-methylsulfonylphenyl)butan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-2-methyl-1-(4-methylsulfonylphenyl)butan-1-amine;hydrochloride?
The canonical SMILES for (1R)-2-methyl-1-(4-methylsulfonylphenyl)butan-1-amine;hydrochloride is CCC(C)[C@@H](N)c1ccc(S(C)(=O)=O)cc1.Cl.
What is the InChIKey of (1R)-2-methyl-1-(4-methylsulfonylphenyl)butan-1-amine;hydrochloride?
The InChIKey is HWSKRMKBQDOORN-ZHWMGRLRSA-N. The full InChI is InChI=1S/C12H19NO2S.ClH/c1-4-9(2)12(13)10-5-7-11(8-6-10)16(3,14)15;/h5-9,12H,4,13H2,1-3H3;1H/t9?,12-;/m1./s1.
What are the key properties of (1R)-2-methyl-1-(4-methylsulfonylphenyl)butan-1-amine;hydrochloride?
(1R)-2-methyl-1-(4-methylsulfonylphenyl)butan-1-amine;hydrochloride has a molecular weight of 277.82 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-methyl-1-(4-methylsulfonylphenyl)butan-1-amine;hydrochloride is sourced from PubChem (CID 171198410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).