1-ethylsulfonyl-N-[(1R)-1-(3-methylphenyl)ethyl]propan-2-amine

C14H23NO2S — CID 104867052

IUPAC1-ethylsulfonyl-N-[(1R)-1-(3-methylphenyl)ethyl]propan-2-amine
SMILESCCS(=O)(=O)CC(C)N[C@H](C)c1cccc(C)c1
InChIInChI=1S/C14H23NO2S/c1-5-18(16,17)10-12(3)15-13(4)14-8-6-7-11(2)9-14/h6-9,12-13,15H,5,10H2,1-4H3/t12?,13-/m1/s1
InChIKeyWZZZOMFAWOXYQX-ZGTCLIOFSA-N
MW269.41 g/mol
LogP2.47
Rot. Bonds6

About 1-ethylsulfonyl-N-[(1R)-1-(3-methylphenyl)ethyl]propan-2-amine

1-ethylsulfonyl-N-[(1R)-1-(3-methylphenyl)ethyl]propan-2-amine (PubChem CID 104867052) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-[(1R)-1-(3-methylphenyl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-ethylsulfonyl-N-[(1R)-1-(3-methylphenyl)ethyl]propan-2-amine
PubChem CID104867052
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name1-ethylsulfonyl-N-[(1R)-1-(3-methylphenyl)ethyl]propan-2-amine
SMILESCCS(=O)(=O)CC(C)N[C@H](C)c1cccc(C)c1
InChIInChI=1S/C14H23NO2S/c1-5-18(16,17)10-12(3)15-13(4)14-8-6-7-11(2)9-14/h6-9,12-13,15H,5,10H2,1-4H3/t12?,13-/m1/s1
InChIKeyWZZZOMFAWOXYQX-ZGTCLIOFSA-N
XLogP2.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-ethylsulfonyl-N-[(1R)-1-(3-fluorophenyl)ethyl]propan-2-amine
CID 97070520
N-[1-(3-methylphenyl)ethyl]hexan-3-amine
CID 62119474
methyl 3-[[(1R)-1-(3-methylphenyl)ethyl]amino]butanoate
CID 81360687
(1R)-N-[1-(3-methylphenyl)ethyl]-1-phenylethanamine
CID 79040987
N-[1-(3-methylphenyl)ethyl]-4-methylsulfanylbutan-2-amine
CID 115663825
1-ethylsulfonyl-N-[(1S)-1-pyridin-3-ylethyl]propan-2-amine
CID 113350765
N-[(1S)-1-(3-methylphenyl)ethyl]methanesulfonamide
CID 81360320
1-(4-methylphenyl)-N-[1-(3-methylphenyl)ethyl]ethanamine
CID 54863165
ethyl 2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanoate
CID 81361138
N-[(1R)-1-(3-fluorophenyl)ethyl]-1-methylsulfonylpropan-2-amine
CID 81369924
N-[(1S)-1-(3-methylphenyl)ethyl]-1-phenylbutan-2-amine
CID 81363641
N-ethyl-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanamide
CID 81361243

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-[(1R)-1-(3-methylphenyl)ethyl]propan-2-amine?
The IUPAC name of 1-ethylsulfonyl-N-[(1R)-1-(3-methylphenyl)ethyl]propan-2-amine (CID 104867052) is 1-ethylsulfonyl-N-[(1R)-1-(3-methylphenyl)ethyl]propan-2-amine.
What is the SMILES notation for 1-ethylsulfonyl-N-[(1R)-1-(3-methylphenyl)ethyl]propan-2-amine?
The canonical SMILES for 1-ethylsulfonyl-N-[(1R)-1-(3-methylphenyl)ethyl]propan-2-amine is CCS(=O)(=O)CC(C)N[C@H](C)c1cccc(C)c1.
What is the InChIKey of 1-ethylsulfonyl-N-[(1R)-1-(3-methylphenyl)ethyl]propan-2-amine?
The InChIKey is WZZZOMFAWOXYQX-ZGTCLIOFSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-5-18(16,17)10-12(3)15-13(4)14-8-6-7-11(2)9-14/h6-9,12-13,15H,5,10H2,1-4H3/t12?,13-/m1/s1.
What are the key properties of 1-ethylsulfonyl-N-[(1R)-1-(3-methylphenyl)ethyl]propan-2-amine?
1-ethylsulfonyl-N-[(1R)-1-(3-methylphenyl)ethyl]propan-2-amine has a molecular weight of 269.41 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-[(1R)-1-(3-methylphenyl)ethyl]propan-2-amine is sourced from PubChem (CID 104867052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).