4-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-methylbenzenesulfonamide

C13H22N2O3S — CID 106171205

IUPAC4-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-methylbenzenesulfonamide
SMILESCCC(C)(CCO)Nc1ccc(S(=O)(=O)NC)cc1
InChIInChI=1S/C13H22N2O3S/c1-4-13(2,9-10-16)15-11-5-7-12(8-6-11)19(17,18)14-3/h5-8,14-16H,4,9-10H2,1-3H3
InChIKeyFFINWHULLYIWQB-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.56
Rot. Bonds7

About 4-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-methylbenzenesulfonamide

4-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-methylbenzenesulfonamide (PubChem CID 106171205) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 4-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-methylbenzenesulfonamide
PubChem CID106171205
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name4-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-methylbenzenesulfonamide
SMILESCCC(C)(CCO)Nc1ccc(S(=O)(=O)NC)cc1
InChIInChI=1S/C13H22N2O3S/c1-4-13(2,9-10-16)15-11-5-7-12(8-6-11)19(17,18)14-3/h5-8,14-16H,4,9-10H2,1-3H3
InChIKeyFFINWHULLYIWQB-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

N-ethyl-4-[(1-hydroxy-3-methylpentan-3-yl)amino]benzenesulfonamide
CID 106171712
2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-methylbenzenesulfonamide
CID 106171730
4-[(1-hydroxy-2-methylbutan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide
CID 64558207
4-(3-hydroxypropylamino)-N-methylbenzenesulfonamide
CID 43453851
3-N-(4-ethylsulfonylphenyl)-3-methylpentane-1,3-diamine
CID 106165647
2,2-dimethyl-N-[4-(methylsulfamoyl)phenyl]butanamide
CID 59806865
N-(1-hydroxy-3-methylpentan-3-yl)-4-propan-2-ylbenzenesulfonamide
CID 106169794
4-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106330291
4-(6-hydroxyhexylamino)-N-methylbenzenesulfonamide
CID 107848765
N-ethyl-4-[(4-hydroxy-2,2-dimethylbutyl)amino]benzenesulfonamide
CID 106144652
3-methyl-3-[(6-nitro-3-pyridinyl)amino]pentan-1-ol
CID 106171127
3,4-dichloro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106169954

Frequently Asked Questions

What is the IUPAC name of 4-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-methylbenzenesulfonamide (CID 106171205) is 4-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-methylbenzenesulfonamide is CCC(C)(CCO)Nc1ccc(S(=O)(=O)NC)cc1.
What is the InChIKey of 4-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-methylbenzenesulfonamide?
The InChIKey is FFINWHULLYIWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-4-13(2,9-10-16)15-11-5-7-12(8-6-11)19(17,18)14-3/h5-8,14-16H,4,9-10H2,1-3H3.
What are the key properties of 4-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-methylbenzenesulfonamide?
4-[(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 4-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 106171205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).