2-(4-ethylsulfonylphenyl)-2-methylpropan-1-amine

C12H19NO2S — CID 82477614

IUPAC2-(4-ethylsulfonylphenyl)-2-methylpropan-1-amine
SMILESCCS(=O)(=O)c1ccc(C(C)(C)CN)cc1
InChIInChI=1S/C12H19NO2S/c1-4-16(14,15)11-7-5-10(6-8-11)12(2,3)9-13/h5-8H,4,9,13H2,1-3H3
InChIKeyOBCSJIBTAQDVGH-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.72
Rot. Bonds4

About 2-(4-ethylsulfonylphenyl)-2-methylpropan-1-amine

2-(4-ethylsulfonylphenyl)-2-methylpropan-1-amine (PubChem CID 82477614) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-(4-ethylsulfonylphenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(4-ethylsulfonylphenyl)-2-methylpropan-1-amine
PubChem CID82477614
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name2-(4-ethylsulfonylphenyl)-2-methylpropan-1-amine
SMILESCCS(=O)(=O)c1ccc(C(C)(C)CN)cc1
InChIInChI=1S/C12H19NO2S/c1-4-16(14,15)11-7-5-10(6-8-11)12(2,3)9-13/h5-8H,4,9,13H2,1-3H3
InChIKeyOBCSJIBTAQDVGH-UHFFFAOYSA-N
XLogP1.72
TPSA60.16 Ų
H-Bond Donors1
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 ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(1-amino-2-methylpropan-2-yl)phenyl]-2-methylpropan-1-amine;hydrochloride
CID 74889721
2-methyl-2-(4-methylphenyl)propan-1-amine;propane
CID 143028408
1-(1,1-difluoropropyl)-4-ethylsulfonylbenzene
CID 116841298
1-(1-amino-2-methylpropan-2-yl)-4-(dimethylsulfamoylamino)benzene
CID 43624625
3-(4-ethylphenyl)sulfonyl-2,2-dimethylpropan-1-amine
CID 116853143
3-N-(4-ethylsulfonylphenyl)-3-methylpentane-1,3-diamine
CID 106165647
ethane;1-ethylsulfonyl-4-methylbenzene
CID 142583091
1-tert-butyl-4-(iodomethylsulfonyl)benzene
CID 89352568
2-methyl-2-(4-phenylphenyl)propan-1-amine
CID 56687090
1-(bromomethylsulfonyl)-4-tert-butylbenzene
CID 66789590
1-(4-ethylsulfonylphenyl)-2-methylpropan-2-ol
CID 116928680
2-(4-butan-2-ylphenyl)-2-methylpropan-1-amine
CID 82077217

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfonylphenyl)-2-methylpropan-1-amine?
The IUPAC name of 2-(4-ethylsulfonylphenyl)-2-methylpropan-1-amine (CID 82477614) is 2-(4-ethylsulfonylphenyl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(4-ethylsulfonylphenyl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(4-ethylsulfonylphenyl)-2-methylpropan-1-amine is CCS(=O)(=O)c1ccc(C(C)(C)CN)cc1.
What is the InChIKey of 2-(4-ethylsulfonylphenyl)-2-methylpropan-1-amine?
The InChIKey is OBCSJIBTAQDVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-4-16(14,15)11-7-5-10(6-8-11)12(2,3)9-13/h5-8H,4,9,13H2,1-3H3.
What are the key properties of 2-(4-ethylsulfonylphenyl)-2-methylpropan-1-amine?
2-(4-ethylsulfonylphenyl)-2-methylpropan-1-amine has a molecular weight of 241.36 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfonylphenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 82477614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).