3-(1-aminoethyl)-N-(2,3,3-trimethylbutyl)benzenesulfonamide

C15H26N2O2S — CID 83143695

IUPAC3-(1-aminoethyl)-N-(2,3,3-trimethylbutyl)benzenesulfonamide
SMILESCC(N)c1cccc(S(=O)(=O)NCC(C)C(C)(C)C)c1
InChIInChI=1S/C15H26N2O2S/c1-11(15(3,4)5)10-17-20(18,19)14-8-6-7-13(9-14)12(2)16/h6-9,11-12,17H,10,16H2,1-5H3
InChIKeyIWVBSESSONKJBK-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.67
Rot. Bonds5

About 3-(1-aminoethyl)-N-(2,3,3-trimethylbutyl)benzenesulfonamide

3-(1-aminoethyl)-N-(2,3,3-trimethylbutyl)benzenesulfonamide (PubChem CID 83143695) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 3-(1-aminoethyl)-N-(2,3,3-trimethylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(1-aminoethyl)-N-(2,3,3-trimethylbutyl)benzenesulfonamide
PubChem CID83143695
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name3-(1-aminoethyl)-N-(2,3,3-trimethylbutyl)benzenesulfonamide
SMILESCC(N)c1cccc(S(=O)(=O)NCC(C)C(C)(C)C)c1
InChIInChI=1S/C15H26N2O2S/c1-11(15(3,4)5)10-17-20(18,19)14-8-6-7-13(9-14)12(2)16/h6-9,11-12,17H,10,16H2,1-5H3
InChIKeyIWVBSESSONKJBK-UHFFFAOYSA-N
XLogP2.67
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(methylamino)ethyl]-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 83142320
3-(2,3,3-trimethylbutylsulfamoyl)benzenesulfonyl fluoride
CID 114958447
3-acetyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 78966562
3-(1-aminoethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
CID 79360331
3-(1-aminoethyl)-N-octylbenzenesulfonamide
CID 115569030
3-(1-aminoethyl)-N-cyclopentylbenzenesulfonamide
CID 43101815
4-(2,3,3-trimethylbutylsulfamoyl)benzenesulfonyl chloride
CID 83142937
N-[2-(methylamino)propyl]-3-propan-2-ylbenzenesulfonamide
CID 120824992
3-(1-aminoethyl)-N-(3,4-dichlorophenyl)benzenesulfonamide
CID 43104208
3-bromo-4-methoxy-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 78966879
3-(1-aminoethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
CID 63330176
4-fluoro-3-(hydroxymethyl)-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 83147125

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-N-(2,3,3-trimethylbutyl)benzenesulfonamide?
The IUPAC name of 3-(1-aminoethyl)-N-(2,3,3-trimethylbutyl)benzenesulfonamide (CID 83143695) is 3-(1-aminoethyl)-N-(2,3,3-trimethylbutyl)benzenesulfonamide.
What is the SMILES notation for 3-(1-aminoethyl)-N-(2,3,3-trimethylbutyl)benzenesulfonamide?
The canonical SMILES for 3-(1-aminoethyl)-N-(2,3,3-trimethylbutyl)benzenesulfonamide is CC(N)c1cccc(S(=O)(=O)NCC(C)C(C)(C)C)c1.
What is the InChIKey of 3-(1-aminoethyl)-N-(2,3,3-trimethylbutyl)benzenesulfonamide?
The InChIKey is IWVBSESSONKJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-11(15(3,4)5)10-17-20(18,19)14-8-6-7-13(9-14)12(2)16/h6-9,11-12,17H,10,16H2,1-5H3.
What are the key properties of 3-(1-aminoethyl)-N-(2,3,3-trimethylbutyl)benzenesulfonamide?
3-(1-aminoethyl)-N-(2,3,3-trimethylbutyl)benzenesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-N-(2,3,3-trimethylbutyl)benzenesulfonamide is sourced from PubChem (CID 83143695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).