5-(aminomethyl)-N-ethyl-2,4-dimethyl-N-(2-methylbutyl)benzenesulfonamide

C16H28N2O2S — CID 79471703

IUPAC5-(aminomethyl)-N-ethyl-2,4-dimethyl-N-(2-methylbutyl)benzenesulfonamide
SMILESCCC(C)CN(CC)S(=O)(=O)c1cc(CN)c(C)cc1C
InChIInChI=1S/C16H28N2O2S/c1-6-12(3)11-18(7-2)21(19,20)16-9-15(10-17)13(4)8-14(16)5/h8-9,12H,6-7,10-11,17H2,1-5H3
InChIKeyXINRSHZDZPLLNB-UHFFFAOYSA-N
MW312.48 g/mol
LogP2.82
Rot. Bonds7

About 5-(aminomethyl)-N-ethyl-2,4-dimethyl-N-(2-methylbutyl)benzenesulfonamide

5-(aminomethyl)-N-ethyl-2,4-dimethyl-N-(2-methylbutyl)benzenesulfonamide (PubChem CID 79471703) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is 5-(aminomethyl)-N-ethyl-2,4-dimethyl-N-(2-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-ethyl-2,4-dimethyl-N-(2-methylbutyl)benzenesulfonamide
PubChem CID79471703
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC Name5-(aminomethyl)-N-ethyl-2,4-dimethyl-N-(2-methylbutyl)benzenesulfonamide
SMILESCCC(C)CN(CC)S(=O)(=O)c1cc(CN)c(C)cc1C
InChIInChI=1S/C16H28N2O2S/c1-6-12(3)11-18(7-2)21(19,20)16-9-15(10-17)13(4)8-14(16)5/h8-9,12H,6-7,10-11,17H2,1-5H3
InChIKeyXINRSHZDZPLLNB-UHFFFAOYSA-N
XLogP2.82
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-2,4-dichloro-N-ethyl-N-(2-methylbutyl)benzenesulfonamide
CID 79471583
2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)benzenesulfonamide
CID 79482199
3-amino-N-ethyl-2,5-dimethyl-N-(2-methylbutyl)benzenesulfonamide
CID 79889083
2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)thiophene-3-sulfonamide
CID 79469775
2,4-dichloro-N-ethyl-5-(hydroxymethyl)-N-(2-methylbutyl)benzenesulfonamide
CID 79471473
3-(aminomethyl)-2,4-dichloro-N-ethyl-N-(2-methylbutyl)benzenesulfonamide
CID 79472645
N-ethyl-4-methyl-5-(methylaminomethyl)-N-(2-methylbutyl)thiophene-2-sulfonamide
CID 79470903
4-[ethyl(2-methylbutyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 79477863
3-amino-N-ethyl-2,6-dimethyl-N-(2-methylbutyl)benzenesulfonamide
CID 79477818
4-amino-2-[ethyl(2-methylbutyl)sulfamoyl]benzoic acid
CID 102931373
4-amino-2,6-dichloro-N-ethyl-N-(2-methylbutyl)benzenesulfonamide
CID 79478104
N-ethyl-2-(methylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide
CID 79470283

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-ethyl-2,4-dimethyl-N-(2-methylbutyl)benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-N-ethyl-2,4-dimethyl-N-(2-methylbutyl)benzenesulfonamide (CID 79471703) is 5-(aminomethyl)-N-ethyl-2,4-dimethyl-N-(2-methylbutyl)benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-ethyl-2,4-dimethyl-N-(2-methylbutyl)benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-ethyl-2,4-dimethyl-N-(2-methylbutyl)benzenesulfonamide is CCC(C)CN(CC)S(=O)(=O)c1cc(CN)c(C)cc1C.
What is the InChIKey of 5-(aminomethyl)-N-ethyl-2,4-dimethyl-N-(2-methylbutyl)benzenesulfonamide?
The InChIKey is XINRSHZDZPLLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2S/c1-6-12(3)11-18(7-2)21(19,20)16-9-15(10-17)13(4)8-14(16)5/h8-9,12H,6-7,10-11,17H2,1-5H3.
What are the key properties of 5-(aminomethyl)-N-ethyl-2,4-dimethyl-N-(2-methylbutyl)benzenesulfonamide?
5-(aminomethyl)-N-ethyl-2,4-dimethyl-N-(2-methylbutyl)benzenesulfonamide has a molecular weight of 312.48 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-ethyl-2,4-dimethyl-N-(2-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 79471703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).