3-(ethylaminomethyl)-4-methyl-N-(3-methylbutyl)benzenesulfonamide

C15H26N2O2S — CID 106059124

IUPAC3-(ethylaminomethyl)-4-methyl-N-(3-methylbutyl)benzenesulfonamide
SMILESCCNCc1cc(S(=O)(=O)NCCC(C)C)ccc1C
InChIInChI=1S/C15H26N2O2S/c1-5-16-11-14-10-15(7-6-13(14)4)20(18,19)17-9-8-12(2)3/h6-7,10,12,16-17H,5,8-9,11H2,1-4H3
InChIKeyJNMGXALFERFXRE-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.43
Rot. Bonds8

About 3-(ethylaminomethyl)-4-methyl-N-(3-methylbutyl)benzenesulfonamide

3-(ethylaminomethyl)-4-methyl-N-(3-methylbutyl)benzenesulfonamide (PubChem CID 106059124) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 3-(ethylaminomethyl)-4-methyl-N-(3-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(ethylaminomethyl)-4-methyl-N-(3-methylbutyl)benzenesulfonamide
PubChem CID106059124
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name3-(ethylaminomethyl)-4-methyl-N-(3-methylbutyl)benzenesulfonamide
SMILESCCNCc1cc(S(=O)(=O)NCCC(C)C)ccc1C
InChIInChI=1S/C15H26N2O2S/c1-5-16-11-14-10-15(7-6-13(14)4)20(18,19)17-9-8-12(2)3/h6-7,10,12,16-17H,5,8-9,11H2,1-4H3
InChIKeyJNMGXALFERFXRE-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

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Related Compounds

3-(ethylaminomethyl)-N',N',4-trimethylbenzenesulfonohydrazide
CID 106074785
3-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)-4-methylbenzenesulfonamide
CID 106079964
4-chloro-3-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 113098372
5-(ethylaminomethyl)-N-(3-methylbutyl)-1H-pyrrole-3-sulfonamide
CID 114141138
3-(ethylaminomethyl)-N-(1H-imidazol-5-ylmethyl)-4-methylbenzenesulfonamide
CID 106069649
4-(ethylaminomethyl)-N-(4-methylpentyl)benzenesulfonamide
CID 63003905
4-chloro-N-(3-methylbutyl)-3-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 106059168
3-(ethylaminomethyl)-N-(1-methoxybutan-2-yl)-4-methylbenzenesulfonamide
CID 106068281
4-methyl-N-(2-methylsulfanylpropyl)-3-(propylaminomethyl)benzenesulfonamide
CID 106077660
3-(aminomethyl)-4-fluoro-N-(3-methylbutyl)benzenesulfonamide
CID 28716883
3-(ethylaminomethyl)-N-(1-methoxy-2-methylpropan-2-yl)-4-methylbenzenesulfonamide
CID 106080626
3-amino-4-methyl-N-(5-methylhexyl)benzenesulfonamide
CID 115324605

Frequently Asked Questions

What is the IUPAC name of 3-(ethylaminomethyl)-4-methyl-N-(3-methylbutyl)benzenesulfonamide?
The IUPAC name of 3-(ethylaminomethyl)-4-methyl-N-(3-methylbutyl)benzenesulfonamide (CID 106059124) is 3-(ethylaminomethyl)-4-methyl-N-(3-methylbutyl)benzenesulfonamide.
What is the SMILES notation for 3-(ethylaminomethyl)-4-methyl-N-(3-methylbutyl)benzenesulfonamide?
The canonical SMILES for 3-(ethylaminomethyl)-4-methyl-N-(3-methylbutyl)benzenesulfonamide is CCNCc1cc(S(=O)(=O)NCCC(C)C)ccc1C.
What is the InChIKey of 3-(ethylaminomethyl)-4-methyl-N-(3-methylbutyl)benzenesulfonamide?
The InChIKey is JNMGXALFERFXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-5-16-11-14-10-15(7-6-13(14)4)20(18,19)17-9-8-12(2)3/h6-7,10,12,16-17H,5,8-9,11H2,1-4H3.
What are the key properties of 3-(ethylaminomethyl)-4-methyl-N-(3-methylbutyl)benzenesulfonamide?
3-(ethylaminomethyl)-4-methyl-N-(3-methylbutyl)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 3-(ethylaminomethyl)-4-methyl-N-(3-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 106059124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).