(2R)-1-(4-methylsulfonylphenyl)propan-2-amine

C10H15NO2S — CID 12006738

IUPAC(2R)-1-(4-methylsulfonylphenyl)propan-2-amine
SMILESC[C@@H](N)Cc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C10H15NO2S/c1-8(11)7-9-3-5-10(6-4-9)14(2,12)13/h3-6,8H,7,11H2,1-2H3/t8-/m1/s1
InChIKeyIHCJKFBOZVVXQM-MRVPVSSYSA-N
MW213.30 g/mol
LogP0.98
Rot. Bonds3

About (2R)-1-(4-methylsulfonylphenyl)propan-2-amine

(2R)-1-(4-methylsulfonylphenyl)propan-2-amine (PubChem CID 12006738) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is (2R)-1-(4-methylsulfonylphenyl)propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(4-methylsulfonylphenyl)propan-2-amine
PubChem CID12006738
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name(2R)-1-(4-methylsulfonylphenyl)propan-2-amine
SMILESC[C@@H](N)Cc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C10H15NO2S/c1-8(11)7-9-3-5-10(6-4-9)14(2,12)13/h3-6,8H,7,11H2,1-2H3/t8-/m1/s1
InChIKeyIHCJKFBOZVVXQM-MRVPVSSYSA-N
XLogP0.98
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-3-fluoro-2-methylpropyl]-4-methylsulfonylbenzene
CID 59667829
N-[4-(2-aminopropyl)phenyl]-N-methylmethanesulfonamide
CID 117358329
(3R)-3-amino-4-(4-methylsulfonylphenyl)butanoic acid
CID 96664934
methanesulfonic acid;(2S)-1-phenylpropan-2-amine
CID 87182702
methanesulfonic acid;1-phenylpropan-2-amine
CID 173025540
methyl (2S)-2-amino-3-(4-methylsulfonylphenyl)propanoate;hydrochloride
CID 139716321
2-bromo-3-(4-methylsulfonylphenyl)propanal
CID 57029591
1-(2-methylhex-3-ynyl)-4-methylsulfonylbenzene
CID 83926348
λ2-plumbane;bis((2S)-1-phenylpropan-2-amine);sulfuric acid
CID 173242520
1-ethyl-4-methylsulfonylbenzene
CID 143759723
1-(6-methylsulfonyl-1H-indol-2-yl)propan-2-amine
CID 83919825
(2S)-2-amino-N-[(4-methylsulfonylphenyl)methyl]propanamide
CID 78977442

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-methylsulfonylphenyl)propan-2-amine?
The IUPAC name of (2R)-1-(4-methylsulfonylphenyl)propan-2-amine (CID 12006738) is (2R)-1-(4-methylsulfonylphenyl)propan-2-amine.
What is the SMILES notation for (2R)-1-(4-methylsulfonylphenyl)propan-2-amine?
The canonical SMILES for (2R)-1-(4-methylsulfonylphenyl)propan-2-amine is C[C@@H](N)Cc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of (2R)-1-(4-methylsulfonylphenyl)propan-2-amine?
The InChIKey is IHCJKFBOZVVXQM-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-8(11)7-9-3-5-10(6-4-9)14(2,12)13/h3-6,8H,7,11H2,1-2H3/t8-/m1/s1.
What are the key properties of (2R)-1-(4-methylsulfonylphenyl)propan-2-amine?
(2R)-1-(4-methylsulfonylphenyl)propan-2-amine has a molecular weight of 213.30 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-methylsulfonylphenyl)propan-2-amine is sourced from PubChem (CID 12006738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).