(2R)-N,N-dimethyl-1-(4-methylphenyl)sulfonylpropan-2-amine

C12H19NO2S — CID 169438793

IUPAC(2R)-N,N-dimethyl-1-(4-methylphenyl)sulfonylpropan-2-amine
SMILESCc1ccc(S(=O)(=O)C[C@@H](C)N(C)C)cc1
InChIInChI=1S/C12H19NO2S/c1-10-5-7-12(8-6-10)16(14,15)9-11(2)13(3)4/h5-8,11H,9H2,1-4H3/t11-/m1/s1
InChIKeyCENFGIYQNXTWCN-LLVKDONJSA-N
MW241.36 g/mol
LogP1.72
Rot. Bonds4

About (2R)-N,N-dimethyl-1-(4-methylphenyl)sulfonylpropan-2-amine

(2R)-N,N-dimethyl-1-(4-methylphenyl)sulfonylpropan-2-amine (PubChem CID 169438793) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is (2R)-N,N-dimethyl-1-(4-methylphenyl)sulfonylpropan-2-amine.

Molecular Properties

Compound Name(2R)-N,N-dimethyl-1-(4-methylphenyl)sulfonylpropan-2-amine
PubChem CID169438793
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name(2R)-N,N-dimethyl-1-(4-methylphenyl)sulfonylpropan-2-amine
SMILESCc1ccc(S(=O)(=O)C[C@@H](C)N(C)C)cc1
InChIInChI=1S/C12H19NO2S/c1-10-5-7-12(8-6-10)16(14,15)9-11(2)13(3)4/h5-8,11H,9H2,1-4H3/t11-/m1/s1
InChIKeyCENFGIYQNXTWCN-LLVKDONJSA-N
XLogP1.72
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-diiodoethylsulfonyl)-4-methylbenzene
CID 10993804
[(2R)-2-(dimethylamino)propyl] 4-methylbenzenesulfonate
CID 126616074
ethane;1-ethylsulfonyl-4-methylbenzene
CID 142583091
1-(2,3-dibromopropylsulfonyl)-4-methylbenzene
CID 15697980
(2R,3R)-2-hydroxy-3-[(4-methylphenyl)sulfonylmethyl]heptan-4-one
CID 100989847
1-amino-3-(4-methylphenyl)sulfonylpropan-2-ol
CID 79022105
2-amino-3-(4-methylphenyl)sulfonylpropane-1-thiol
CID 147314995
2-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]furan
CID 134965233
4-(4-methylphenyl)sulfonyl-3-(propylamino)butan-1-ol
CID 64898401
[4-[2-(dimethylamino)propyl]phenyl] 4-methylbenzenesulfonate
CID 87296705
3-(4-methylphenyl)sulfonyl-2-[(4-methylphenyl)sulfonylmethyl]-1-[4-(2-methylpropanoyl)phenyl]propan-1-one
CID 139307124
2-methyl-3,4-bis-(4-methylphenyl)sulfonylbutanoic acid
CID 19609073

Frequently Asked Questions

What is the IUPAC name of (2R)-N,N-dimethyl-1-(4-methylphenyl)sulfonylpropan-2-amine?
The IUPAC name of (2R)-N,N-dimethyl-1-(4-methylphenyl)sulfonylpropan-2-amine (CID 169438793) is (2R)-N,N-dimethyl-1-(4-methylphenyl)sulfonylpropan-2-amine.
What is the SMILES notation for (2R)-N,N-dimethyl-1-(4-methylphenyl)sulfonylpropan-2-amine?
The canonical SMILES for (2R)-N,N-dimethyl-1-(4-methylphenyl)sulfonylpropan-2-amine is Cc1ccc(S(=O)(=O)C[C@@H](C)N(C)C)cc1.
What is the InChIKey of (2R)-N,N-dimethyl-1-(4-methylphenyl)sulfonylpropan-2-amine?
The InChIKey is CENFGIYQNXTWCN-LLVKDONJSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-10-5-7-12(8-6-10)16(14,15)9-11(2)13(3)4/h5-8,11H,9H2,1-4H3/t11-/m1/s1.
What are the key properties of (2R)-N,N-dimethyl-1-(4-methylphenyl)sulfonylpropan-2-amine?
(2R)-N,N-dimethyl-1-(4-methylphenyl)sulfonylpropan-2-amine has a molecular weight of 241.36 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N-dimethyl-1-(4-methylphenyl)sulfonylpropan-2-amine is sourced from PubChem (CID 169438793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).