2-methyl-5-(methylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide

C15H26N2O2S — CID 106053715

IUPAC2-methyl-5-(methylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide
SMILESCCC(C)C(C)NS(=O)(=O)c1cc(CNC)ccc1C
InChIInChI=1S/C15H26N2O2S/c1-6-11(2)13(4)17-20(18,19)15-9-14(10-16-5)8-7-12(15)3/h7-9,11,13,16-17H,6,10H2,1-5H3
InChIKeyHYLSYOMYKGTQEU-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.43
Rot. Bonds7

About 2-methyl-5-(methylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide

2-methyl-5-(methylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide (PubChem CID 106053715) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 2-methyl-5-(methylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-5-(methylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide
PubChem CID106053715
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name2-methyl-5-(methylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide
SMILESCCC(C)C(C)NS(=O)(=O)c1cc(CNC)ccc1C
InChIInChI=1S/C15H26N2O2S/c1-6-11(2)13(4)17-20(18,19)15-9-14(10-16-5)8-7-12(15)3/h7-9,11,13,16-17H,6,10H2,1-5H3
InChIKeyHYLSYOMYKGTQEU-UHFFFAOYSA-N
XLogP2.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

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Related Compounds

2-chloro-5-(methylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 106053736
2,4-dimethyl-5-(methylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 106053867
2,3-difluoro-5-(methylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 106053788
N-(1-ethylsulfanylpropan-2-yl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106083228
N-[1-(dimethylamino)propan-2-yl]-2-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106074318
N-[1-(1H-imidazol-2-yl)ethyl]-2-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106084997
5-(ethylaminomethyl)-2-methyl-N-(2-methylpentan-3-yl)benzenesulfonamide
CID 106018838
1-[3-(methylaminomethyl)phenyl]-N-(3-methylpentan-2-yl)methanesulfonamide
CID 106053780
4-(aminomethyl)-2-methoxy-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 106053827
2-chloro-5-(methylaminomethyl)-N-(2-methylpentan-3-yl)benzenesulfonamide
CID 106018832
5-amino-2,3-dimethyl-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 61463662
N-(4-bromophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106061352

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(methylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide?
The IUPAC name of 2-methyl-5-(methylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide (CID 106053715) is 2-methyl-5-(methylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-methyl-5-(methylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-methyl-5-(methylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide is CCC(C)C(C)NS(=O)(=O)c1cc(CNC)ccc1C.
What is the InChIKey of 2-methyl-5-(methylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide?
The InChIKey is HYLSYOMYKGTQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-6-11(2)13(4)17-20(18,19)15-9-14(10-16-5)8-7-12(15)3/h7-9,11,13,16-17H,6,10H2,1-5H3.
What are the key properties of 2-methyl-5-(methylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide?
2-methyl-5-(methylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(methylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide is sourced from PubChem (CID 106053715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).