3-(dimethylamino)-N-(1-hydroxy-4-methylpentan-2-yl)-4-methylbenzenesulfonamide

C15H26N2O3S — CID 75387051

IUPAC3-(dimethylamino)-N-(1-hydroxy-4-methylpentan-2-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(CO)CC(C)C)cc1N(C)C
InChIInChI=1S/C15H26N2O3S/c1-11(2)8-13(10-18)16-21(19,20)14-7-6-12(3)15(9-14)17(4)5/h6-7,9,11,13,16,18H,8,10H2,1-5H3
InChIKeySVGFRBLNRNZAFD-UHFFFAOYSA-N
MW314.45 g/mol
LogP1.75
Rot. Bonds7

About 3-(dimethylamino)-N-(1-hydroxy-4-methylpentan-2-yl)-4-methylbenzenesulfonamide

3-(dimethylamino)-N-(1-hydroxy-4-methylpentan-2-yl)-4-methylbenzenesulfonamide (PubChem CID 75387051) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is 3-(dimethylamino)-N-(1-hydroxy-4-methylpentan-2-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-(1-hydroxy-4-methylpentan-2-yl)-4-methylbenzenesulfonamide
PubChem CID75387051
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC Name3-(dimethylamino)-N-(1-hydroxy-4-methylpentan-2-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(CO)CC(C)C)cc1N(C)C
InChIInChI=1S/C15H26N2O3S/c1-11(2)8-13(10-18)16-21(19,20)14-7-6-12(3)15(9-14)17(4)5/h6-7,9,11,13,16,18H,8,10H2,1-5H3
InChIKeySVGFRBLNRNZAFD-UHFFFAOYSA-N
XLogP1.75
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(dimethylamino)-N-(1-hydroxy-4-methylpentan-2-yl)-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-(1-hydroxy-4-methylpentan-2-yl)-4-methylbenzenesulfonamide?
The IUPAC name of 3-(dimethylamino)-N-(1-hydroxy-4-methylpentan-2-yl)-4-methylbenzenesulfonamide (CID 75387051) is 3-(dimethylamino)-N-(1-hydroxy-4-methylpentan-2-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-(dimethylamino)-N-(1-hydroxy-4-methylpentan-2-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for 3-(dimethylamino)-N-(1-hydroxy-4-methylpentan-2-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC(CO)CC(C)C)cc1N(C)C.
What is the InChIKey of 3-(dimethylamino)-N-(1-hydroxy-4-methylpentan-2-yl)-4-methylbenzenesulfonamide?
The InChIKey is SVGFRBLNRNZAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-11(2)8-13(10-18)16-21(19,20)14-7-6-12(3)15(9-14)17(4)5/h6-7,9,11,13,16,18H,8,10H2,1-5H3.
What are the key properties of 3-(dimethylamino)-N-(1-hydroxy-4-methylpentan-2-yl)-4-methylbenzenesulfonamide?
3-(dimethylamino)-N-(1-hydroxy-4-methylpentan-2-yl)-4-methylbenzenesulfonamide has a molecular weight of 314.45 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-(1-hydroxy-4-methylpentan-2-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 75387051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).