3-(dimethylamino)-3-(4-ethylsulfonylphenyl)-2-methylpropan-1-ol

C14H23NO3S — CID 83927183

IUPAC3-(dimethylamino)-3-(4-ethylsulfonylphenyl)-2-methylpropan-1-ol
SMILESCCS(=O)(=O)c1ccc(C(C(C)CO)N(C)C)cc1
InChIInChI=1S/C14H23NO3S/c1-5-19(17,18)13-8-6-12(7-9-13)14(15(3)4)11(2)10-16/h6-9,11,14,16H,5,10H2,1-4H3
InChIKeySUESRFDMLYMJGQ-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.71
Rot. Bonds6

About 3-(dimethylamino)-3-(4-ethylsulfonylphenyl)-2-methylpropan-1-ol

3-(dimethylamino)-3-(4-ethylsulfonylphenyl)-2-methylpropan-1-ol (PubChem CID 83927183) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is 3-(dimethylamino)-3-(4-ethylsulfonylphenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(dimethylamino)-3-(4-ethylsulfonylphenyl)-2-methylpropan-1-ol
PubChem CID83927183
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name3-(dimethylamino)-3-(4-ethylsulfonylphenyl)-2-methylpropan-1-ol
SMILESCCS(=O)(=O)c1ccc(C(C(C)CO)N(C)C)cc1
InChIInChI=1S/C14H23NO3S/c1-5-19(17,18)13-8-6-12(7-9-13)14(15(3)4)11(2)10-16/h6-9,11,14,16H,5,10H2,1-4H3
InChIKeySUESRFDMLYMJGQ-UHFFFAOYSA-N
XLogP1.71
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethylsulfonylphenyl)-2-fluoroethanol
CID 105425917
4-[1-(dimethylamino)-3-hydroxy-2-methylpropyl]benzonitrile
CID 83927432
amino-(4-ethylsulfonylphenyl)methanol
CID 116939662
(1R,2R)-1-amino-1-(4-ethylsulfonylphenyl)propan-2-ol
CID 121290550
2-(4-ethylsulfonylanilino)propan-1-ol
CID 43500287
3-amino-3-(4-ethylsulfonylphenyl)propan-1-ol;hydrochloride
CID 166644481
amino-(4-ethylsulfonylphenyl)methanethiol
CID 116939510
2-(4-ethylsulfonyl-N-methylanilino)propanoic acid
CID 62637934
(2S)-2-(4-ethylsulfonylanilino)-3-methylbutan-1-ol
CID 79246558
3-(4-ethylsulfonyl-N-propan-2-ylanilino)propan-1-ol
CID 61146549
[3-amino-3-(4-ethylsulfonylphenyl)propyl]-methylcarbamic acid
CID 175154396
4-[1-(4-ethylsulfonylanilino)ethyl]phenol
CID 43689686

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-3-(4-ethylsulfonylphenyl)-2-methylpropan-1-ol?
The IUPAC name of 3-(dimethylamino)-3-(4-ethylsulfonylphenyl)-2-methylpropan-1-ol (CID 83927183) is 3-(dimethylamino)-3-(4-ethylsulfonylphenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 3-(dimethylamino)-3-(4-ethylsulfonylphenyl)-2-methylpropan-1-ol?
The canonical SMILES for 3-(dimethylamino)-3-(4-ethylsulfonylphenyl)-2-methylpropan-1-ol is CCS(=O)(=O)c1ccc(C(C(C)CO)N(C)C)cc1.
What is the InChIKey of 3-(dimethylamino)-3-(4-ethylsulfonylphenyl)-2-methylpropan-1-ol?
The InChIKey is SUESRFDMLYMJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-5-19(17,18)13-8-6-12(7-9-13)14(15(3)4)11(2)10-16/h6-9,11,14,16H,5,10H2,1-4H3.
What are the key properties of 3-(dimethylamino)-3-(4-ethylsulfonylphenyl)-2-methylpropan-1-ol?
3-(dimethylamino)-3-(4-ethylsulfonylphenyl)-2-methylpropan-1-ol has a molecular weight of 285.41 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-3-(4-ethylsulfonylphenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 83927183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).