1-(N-ethyl-2-methylsulfonylanilino)-2-methylpropan-2-ol

C13H21NO3S — CID 79390069

IUPAC1-(N-ethyl-2-methylsulfonylanilino)-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C13H21NO3S/c1-5-14(10-13(2,3)15)11-8-6-7-9-12(11)18(4,16)17/h6-9,15H,5,10H2,1-4H3
InChIKeyFCWDAMLKTLTMKP-UHFFFAOYSA-N
MW271.38 g/mol
LogP1.69
Rot. Bonds5

About 1-(N-ethyl-2-methylsulfonylanilino)-2-methylpropan-2-ol

1-(N-ethyl-2-methylsulfonylanilino)-2-methylpropan-2-ol (PubChem CID 79390069) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is 1-(N-ethyl-2-methylsulfonylanilino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(N-ethyl-2-methylsulfonylanilino)-2-methylpropan-2-ol
PubChem CID79390069
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name1-(N-ethyl-2-methylsulfonylanilino)-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C13H21NO3S/c1-5-14(10-13(2,3)15)11-8-6-7-9-12(11)18(4,16)17/h6-9,15H,5,10H2,1-4H3
InChIKeyFCWDAMLKTLTMKP-UHFFFAOYSA-N
XLogP1.69
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenesulfonamide
CID 79389604
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-methylbenzenesulfonamide
CID 79389694
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-propan-2-ylbenzenesulfonamide
CID 79378942
1-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]phenyl]ethanone
CID 79387122
3-(N-ethyl-2-methylsulfonylanilino)-2-methylpropanoic acid
CID 55123154
1-[2-(aminomethyl)-N-ethylanilino]-2-methylpropan-2-ol
CID 79384049
1-(2-amino-N-ethyl-4-methylsulfonylanilino)-2-methylpropan-2-ol
CID 79381958
1-[N-ethyl-2-[(1S)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol
CID 79386990
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenecarbothioamide
CID 79379095
1-[2-[(1R)-1-aminopropyl]-N-ethylanilino]-2-methylpropan-2-ol
CID 103959017
1-N,1-N-diethyl-3-methylsulfonylbenzene-1,2-diamine
CID 82002554
2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N,N-dimethylbenzenesulfonamide
CID 79665643

Frequently Asked Questions

What is the IUPAC name of 1-(N-ethyl-2-methylsulfonylanilino)-2-methylpropan-2-ol?
The IUPAC name of 1-(N-ethyl-2-methylsulfonylanilino)-2-methylpropan-2-ol (CID 79390069) is 1-(N-ethyl-2-methylsulfonylanilino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(N-ethyl-2-methylsulfonylanilino)-2-methylpropan-2-ol?
The canonical SMILES for 1-(N-ethyl-2-methylsulfonylanilino)-2-methylpropan-2-ol is CCN(CC(C)(C)O)c1ccccc1S(C)(=O)=O.
What is the InChIKey of 1-(N-ethyl-2-methylsulfonylanilino)-2-methylpropan-2-ol?
The InChIKey is FCWDAMLKTLTMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-5-14(10-13(2,3)15)11-8-6-7-9-12(11)18(4,16)17/h6-9,15H,5,10H2,1-4H3.
What are the key properties of 1-(N-ethyl-2-methylsulfonylanilino)-2-methylpropan-2-ol?
1-(N-ethyl-2-methylsulfonylanilino)-2-methylpropan-2-ol has a molecular weight of 271.38 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N-ethyl-2-methylsulfonylanilino)-2-methylpropan-2-ol is sourced from PubChem (CID 79390069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).