3-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide

C13H22N2O2S — CID 114263610

IUPAC3-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide
SMILESCCC(C)(CC)NS(=O)(=O)c1cccc(NC)c1
InChIInChI=1S/C13H22N2O2S/c1-5-13(3,6-2)15-18(16,17)12-9-7-8-11(10-12)14-4/h7-10,14-15H,5-6H2,1-4H3
InChIKeyWNQZLMFDFKCXLC-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.59
Rot. Bonds6

About 3-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide

3-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide (PubChem CID 114263610) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 3-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide
PubChem CID114263610
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name3-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide
SMILESCCC(C)(CC)NS(=O)(=O)c1cccc(NC)c1
InChIInChI=1S/C13H22N2O2S/c1-5-13(3,6-2)15-18(16,17)12-9-7-8-11(10-12)14-4/h7-10,14-15H,5-6H2,1-4H3
InChIKeyWNQZLMFDFKCXLC-UHFFFAOYSA-N
XLogP2.59
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106330291
N-methyl-3-(methylamino)benzenesulfonamide
CID 63089854
3-bromo-N-(1-bromo-2-methylbutan-2-yl)benzenesulfonamide
CID 114293798
3-(methylamino)-N-(2-methylpropyl)benzenesulfonamide
CID 119028425
2,6-dimethyl-4-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106331213
3-bromo-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106169573
4-methyl-3-(methylaminomethyl)-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106331807
N-(1-hydroxy-3-methylpentan-3-yl)-3-propanoylbenzenesulfonamide
CID 106173679
N-(1-bromo-3-methylpentan-3-yl)benzenesulfonamide
CID 106170023
3-amino-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 16790437
2-amino-2-methyl-N-[3-(methylsulfamoyl)phenyl]butanamide
CID 79797461
N-(3-methylpentan-3-yl)naphthalene-1-sulfonamide
CID 103740938

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide?
The IUPAC name of 3-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide (CID 114263610) is 3-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide?
The canonical SMILES for 3-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide is CCC(C)(CC)NS(=O)(=O)c1cccc(NC)c1.
What is the InChIKey of 3-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide?
The InChIKey is WNQZLMFDFKCXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-5-13(3,6-2)15-18(16,17)12-9-7-8-11(10-12)14-4/h7-10,14-15H,5-6H2,1-4H3.
What are the key properties of 3-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide?
3-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide is sourced from PubChem (CID 114263610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).