2,4-dimethyl-1-(4-methylsulfonylanilino)pentan-2-ol

C14H23NO3S — CID 66178421

IUPAC2,4-dimethyl-1-(4-methylsulfonylanilino)pentan-2-ol
SMILESCC(C)CC(C)(O)CNc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H23NO3S/c1-11(2)9-14(3,16)10-15-12-5-7-13(8-6-12)19(4,17)18/h5-8,11,15-16H,9-10H2,1-4H3
InChIKeyRJYBWTHTVHIWHJ-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.30
Rot. Bonds6

About 2,4-dimethyl-1-(4-methylsulfonylanilino)pentan-2-ol

2,4-dimethyl-1-(4-methylsulfonylanilino)pentan-2-ol (PubChem CID 66178421) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is 2,4-dimethyl-1-(4-methylsulfonylanilino)pentan-2-ol.

Molecular Properties

Compound Name2,4-dimethyl-1-(4-methylsulfonylanilino)pentan-2-ol
PubChem CID66178421
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name2,4-dimethyl-1-(4-methylsulfonylanilino)pentan-2-ol
SMILESCC(C)CC(C)(O)CNc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H23NO3S/c1-11(2)9-14(3,16)10-15-12-5-7-13(8-6-12)19(4,17)18/h5-8,11,15-16H,9-10H2,1-4H3
InChIKeyRJYBWTHTVHIWHJ-UHFFFAOYSA-N
XLogP2.30
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(difluoromethylsulfonyl)anilino]-2,4-dimethylpentan-2-ol
CID 66178235
(2S,3R)-2,3-dimethyl-1-(4-methylsulfonylanilino)pentan-2-ol
CID 97350854
2-amino-4-[(2-hydroxy-2,4-dimethylpentyl)amino]-N-methylbenzenesulfonamide
CID 80640880
2-ethyl-1-N-(4-methylsulfonylphenyl)butane-1,2-diamine
CID 113283230
methyl 2,2-dimethyl-3-(4-methylsulfonylanilino)propanoate
CID 79629519
N-(3,3-dimethylbutan-2-yl)-4-methylsulfonylaniline
CID 104828745
2,4-dimethyl-1-(4-methyl-3-nitroanilino)pentan-2-ol
CID 66178811
3-fluoro-4-[(2-hydroxy-2,4-dimethylpentyl)amino]benzenesulfonamide
CID 66180002
4-(bromomethyl)-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide
CID 66171878
N-(2-methylpropyl)-2-(4-methylsulfonylanilino)acetamide
CID 28579456
2-methyl-1-[4-(trifluoromethylsulfonyl)anilino]butan-2-ol
CID 62662886
N-(3,3-dimethylbutyl)-4-methylsulfonylaniline
CID 60911880

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-(4-methylsulfonylanilino)pentan-2-ol?
The IUPAC name of 2,4-dimethyl-1-(4-methylsulfonylanilino)pentan-2-ol (CID 66178421) is 2,4-dimethyl-1-(4-methylsulfonylanilino)pentan-2-ol.
What is the SMILES notation for 2,4-dimethyl-1-(4-methylsulfonylanilino)pentan-2-ol?
The canonical SMILES for 2,4-dimethyl-1-(4-methylsulfonylanilino)pentan-2-ol is CC(C)CC(C)(O)CNc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2,4-dimethyl-1-(4-methylsulfonylanilino)pentan-2-ol?
The InChIKey is RJYBWTHTVHIWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-11(2)9-14(3,16)10-15-12-5-7-13(8-6-12)19(4,17)18/h5-8,11,15-16H,9-10H2,1-4H3.
What are the key properties of 2,4-dimethyl-1-(4-methylsulfonylanilino)pentan-2-ol?
2,4-dimethyl-1-(4-methylsulfonylanilino)pentan-2-ol has a molecular weight of 285.41 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-(4-methylsulfonylanilino)pentan-2-ol is sourced from PubChem (CID 66178421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).