6-amino-N-butyl-N,2,3-trimethylbenzenesulfonamide

C13H22N2O2S — CID 43258017

IUPAC6-amino-N-butyl-N,2,3-trimethylbenzenesulfonamide
SMILESCCCCN(C)S(=O)(=O)c1c(N)ccc(C)c1C
InChIInChI=1S/C13H22N2O2S/c1-5-6-9-15(4)18(16,17)13-11(3)10(2)7-8-12(13)14/h7-8H,5-6,9,14H2,1-4H3
InChIKeyZUJDEJDOIZLPKY-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.31
Rot. Bonds5

About 6-amino-N-butyl-N,2,3-trimethylbenzenesulfonamide

6-amino-N-butyl-N,2,3-trimethylbenzenesulfonamide (PubChem CID 43258017) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 6-amino-N-butyl-N,2,3-trimethylbenzenesulfonamide.

Molecular Properties

Compound Name6-amino-N-butyl-N,2,3-trimethylbenzenesulfonamide
PubChem CID43258017
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name6-amino-N-butyl-N,2,3-trimethylbenzenesulfonamide
SMILESCCCCN(C)S(=O)(=O)c1c(N)ccc(C)c1C
InChIInChI=1S/C13H22N2O2S/c1-5-6-9-15(4)18(16,17)13-11(3)10(2)7-8-12(13)14/h7-8H,5-6,9,14H2,1-4H3
InChIKeyZUJDEJDOIZLPKY-UHFFFAOYSA-N
XLogP2.31
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-butyl-N,2,3-trimethylbenzenesulfonamide?
The IUPAC name of 6-amino-N-butyl-N,2,3-trimethylbenzenesulfonamide (CID 43258017) is 6-amino-N-butyl-N,2,3-trimethylbenzenesulfonamide.
What is the SMILES notation for 6-amino-N-butyl-N,2,3-trimethylbenzenesulfonamide?
The canonical SMILES for 6-amino-N-butyl-N,2,3-trimethylbenzenesulfonamide is CCCCN(C)S(=O)(=O)c1c(N)ccc(C)c1C.
What is the InChIKey of 6-amino-N-butyl-N,2,3-trimethylbenzenesulfonamide?
The InChIKey is ZUJDEJDOIZLPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-5-6-9-15(4)18(16,17)13-11(3)10(2)7-8-12(13)14/h7-8H,5-6,9,14H2,1-4H3.
What are the key properties of 6-amino-N-butyl-N,2,3-trimethylbenzenesulfonamide?
6-amino-N-butyl-N,2,3-trimethylbenzenesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-butyl-N,2,3-trimethylbenzenesulfonamide is sourced from PubChem (CID 43258017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).