2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-methylbenzenesulfonamide

C13H22N2O3S — CID 106171730

IUPAC2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-methylbenzenesulfonamide
SMILESCCC(C)(CCO)Nc1ccccc1S(=O)(=O)NC
InChIInChI=1S/C13H22N2O3S/c1-4-13(2,9-10-16)15-11-7-5-6-8-12(11)19(17,18)14-3/h5-8,14-16H,4,9-10H2,1-3H3
InChIKeyZAQIEDMLELOFFD-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.56
Rot. Bonds7

About 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-methylbenzenesulfonamide

2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-methylbenzenesulfonamide (PubChem CID 106171730) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-methylbenzenesulfonamide
PubChem CID106171730
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-methylbenzenesulfonamide
SMILESCCC(C)(CCO)Nc1ccccc1S(=O)(=O)NC
InChIInChI=1S/C13H22N2O3S/c1-4-13(2,9-10-16)15-11-7-5-6-8-12(11)19(17,18)14-3/h5-8,14-16H,4,9-10H2,1-3H3
InChIKeyZAQIEDMLELOFFD-UHFFFAOYSA-N
XLogP1.56
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-methylbenzenesulfonamide
CID 106171205
3-methyl-3-[2-(methylsulfamoyl)anilino]butanamide
CID 106097032
2-methyl-2-[2-(trifluoromethylsulfonyl)anilino]butan-1-ol
CID 64558011
2-(3,3-dimethylbutylamino)-N-methylbenzenesulfonamide
CID 62951903
2-ethyl-2-[[2-(methylsulfamoyl)anilino]methyl]butanoic acid
CID 115430195
2-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 67449324
N-ethyl-4-[(1-hydroxy-3-methylpentan-3-yl)amino]benzenesulfonamide
CID 106171712
2-ethylsulfanyl-6-[(1-hydroxy-3-methylpentan-3-yl)amino]benzonitrile
CID 106171261
2-fluoro-6-[(1-hydroxy-3-methylpentan-3-yl)amino]benzonitrile
CID 103768337
2-[[2-(methylsulfamoyl)phenyl]sulfamoyl]acetic acid
CID 43696150
2-[(1-chloro-2-methylbutan-2-yl)amino]-N,N-dimethylbenzenesulfonamide
CID 65028243
2-[(3-ethyl-2-hydroxypentyl)amino]-N-methylbenzenesulfonamide
CID 106287402

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-methylbenzenesulfonamide?
The IUPAC name of 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-methylbenzenesulfonamide (CID 106171730) is 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-methylbenzenesulfonamide is CCC(C)(CCO)Nc1ccccc1S(=O)(=O)NC.
What is the InChIKey of 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-methylbenzenesulfonamide?
The InChIKey is ZAQIEDMLELOFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-4-13(2,9-10-16)15-11-7-5-6-8-12(11)19(17,18)14-3/h5-8,14-16H,4,9-10H2,1-3H3.
What are the key properties of 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-methylbenzenesulfonamide?
2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-methylbenzenesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.56, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 106171730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).