2-methyl-3-(methylaminomethyl)-N-(4-methylpentyl)benzenesulfonamide

C15H26N2O2S — CID 106017053

IUPAC2-methyl-3-(methylaminomethyl)-N-(4-methylpentyl)benzenesulfonamide
SMILESCNCc1cccc(S(=O)(=O)NCCCC(C)C)c1C
InChIInChI=1S/C15H26N2O2S/c1-12(2)7-6-10-17-20(18,19)15-9-5-8-14(11-16-4)13(15)3/h5,8-9,12,16-17H,6-7,10-11H2,1-4H3
InChIKeyGAWUXDNDUGJJPQ-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.43
Rot. Bonds8

About 2-methyl-3-(methylaminomethyl)-N-(4-methylpentyl)benzenesulfonamide

2-methyl-3-(methylaminomethyl)-N-(4-methylpentyl)benzenesulfonamide (PubChem CID 106017053) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 2-methyl-3-(methylaminomethyl)-N-(4-methylpentyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-3-(methylaminomethyl)-N-(4-methylpentyl)benzenesulfonamide
PubChem CID106017053
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name2-methyl-3-(methylaminomethyl)-N-(4-methylpentyl)benzenesulfonamide
SMILESCNCc1cccc(S(=O)(=O)NCCCC(C)C)c1C
InChIInChI=1S/C15H26N2O2S/c1-12(2)7-6-10-17-20(18,19)15-9-5-8-14(11-16-4)13(15)3/h5,8-9,12,16-17H,6-7,10-11H2,1-4H3
InChIKeyGAWUXDNDUGJJPQ-UHFFFAOYSA-N
XLogP2.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-methyl-N-(4-methylpentyl)benzenesulfonamide
CID 61126637
N-(2-butoxyethyl)-2-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106017620
2-methyl-3-(methylaminomethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 106030057
3-amino-2-methyl-N-(7-methyloctyl)benzenesulfonamide
CID 107814631
N-(4-methylpentyl)naphthalene-1-sulfonamide
CID 114795811
2-methyl-3-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)benzenesulfonamide
CID 106050066
N-(4-ethylsulfanylbutan-2-yl)-2-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106084684
3-(aminomethyl)-2-methyl-N-pentylbenzenesulfonamide
CID 106058253
3-(4-hydroxypentylsulfamoyl)-2-methylbenzoic acid
CID 106120528
3-[(cyclopropylamino)methyl]-2-methyl-N-pentylbenzenesulfonamide
CID 106058213
N-(4-fluorophenyl)-2-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106061777
2-chloro-N-(4-methylpentyl)pyridine-3-sulfonamide
CID 61046913

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylaminomethyl)-N-(4-methylpentyl)benzenesulfonamide?
The IUPAC name of 2-methyl-3-(methylaminomethyl)-N-(4-methylpentyl)benzenesulfonamide (CID 106017053) is 2-methyl-3-(methylaminomethyl)-N-(4-methylpentyl)benzenesulfonamide.
What is the SMILES notation for 2-methyl-3-(methylaminomethyl)-N-(4-methylpentyl)benzenesulfonamide?
The canonical SMILES for 2-methyl-3-(methylaminomethyl)-N-(4-methylpentyl)benzenesulfonamide is CNCc1cccc(S(=O)(=O)NCCCC(C)C)c1C.
What is the InChIKey of 2-methyl-3-(methylaminomethyl)-N-(4-methylpentyl)benzenesulfonamide?
The InChIKey is GAWUXDNDUGJJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-12(2)7-6-10-17-20(18,19)15-9-5-8-14(11-16-4)13(15)3/h5,8-9,12,16-17H,6-7,10-11H2,1-4H3.
What are the key properties of 2-methyl-3-(methylaminomethyl)-N-(4-methylpentyl)benzenesulfonamide?
2-methyl-3-(methylaminomethyl)-N-(4-methylpentyl)benzenesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylaminomethyl)-N-(4-methylpentyl)benzenesulfonamide is sourced from PubChem (CID 106017053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).