4-methyl-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide

C14H24N2O2S — CID 106032169

IUPAC4-methyl-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide
SMILESCCC(CC)NS(=O)(=O)c1ccc(C)c(CNC)c1
InChIInChI=1S/C14H24N2O2S/c1-5-13(6-2)16-19(17,18)14-8-7-11(3)12(9-14)10-15-4/h7-9,13,15-16H,5-6,10H2,1-4H3
InChIKeyUDWPIRWZCNGCNV-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.18
Rot. Bonds7

About 4-methyl-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide

4-methyl-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide (PubChem CID 106032169) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 4-methyl-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-methyl-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide
PubChem CID106032169
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name4-methyl-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide
SMILESCCC(CC)NS(=O)(=O)c1ccc(C)c(CNC)c1
InChIInChI=1S/C14H24N2O2S/c1-5-13(6-2)16-19(17,18)14-8-7-11(3)12(9-14)10-15-4/h7-9,13,15-16H,5-6,10H2,1-4H3
InChIKeyUDWPIRWZCNGCNV-UHFFFAOYSA-N
XLogP2.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclopropylbutan-2-yl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106063977
4-methoxy-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide
CID 106032010
4-ethoxy-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide
CID 106032258
3-(ethylaminomethyl)-N-(1-methoxybutan-2-yl)-4-methylbenzenesulfonamide
CID 106068281
N-(4-ethylsulfanylbutan-2-yl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106084672
N-(1-cyclopentylethyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106066098
4-methyl-3-(methylaminomethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106283858
4-methyl-3-(methylaminomethyl)-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106331807
4-methyl-3-(methylaminomethyl)-N-pentylbenzenesulfonamide
CID 106058312
4-fluoro-N-hexan-3-yl-3-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106055480
4-fluoro-3-(hydroxymethyl)-N-pentan-3-ylbenzenesulfonamide
CID 114132220
N-(2,3-dimethylcyclopentyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106069133

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide?
The IUPAC name of 4-methyl-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide (CID 106032169) is 4-methyl-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-methyl-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide?
The canonical SMILES for 4-methyl-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide is CCC(CC)NS(=O)(=O)c1ccc(C)c(CNC)c1.
What is the InChIKey of 4-methyl-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide?
The InChIKey is UDWPIRWZCNGCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-5-13(6-2)16-19(17,18)14-8-7-11(3)12(9-14)10-15-4/h7-9,13,15-16H,5-6,10H2,1-4H3.
What are the key properties of 4-methyl-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide?
4-methyl-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide has a molecular weight of 284.43 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide is sourced from PubChem (CID 106032169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).