4-amino-N-(3,3-dimethylbutyl)-N-propylbenzenesulfonamide

C15H26N2O2S — CID 163733068

IUPAC4-amino-N-(3,3-dimethylbutyl)-N-propylbenzenesulfonamide
SMILESCCCN(CCC(C)(C)C)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C15H26N2O2S/c1-5-11-17(12-10-15(2,3)4)20(18,19)14-8-6-13(16)7-9-14/h6-9H,5,10-12,16H2,1-4H3
InChIKeyLBGODQPLIWBGOI-UHFFFAOYSA-N
MW298.45 g/mol
LogP3.11
Rot. Bonds6

About 4-amino-N-(3,3-dimethylbutyl)-N-propylbenzenesulfonamide

4-amino-N-(3,3-dimethylbutyl)-N-propylbenzenesulfonamide (PubChem CID 163733068) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 4-amino-N-(3,3-dimethylbutyl)-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(3,3-dimethylbutyl)-N-propylbenzenesulfonamide
PubChem CID163733068
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name4-amino-N-(3,3-dimethylbutyl)-N-propylbenzenesulfonamide
SMILESCCCN(CCC(C)(C)C)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C15H26N2O2S/c1-5-11-17(12-10-15(2,3)4)20(18,19)14-8-6-13(16)7-9-14/h6-9H,5,10-12,16H2,1-4H3
InChIKeyLBGODQPLIWBGOI-UHFFFAOYSA-N
XLogP3.11
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 53.11
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 4-amino-N-(3,3-dimethylbutyl)-N-propylbenzenesulfonamide?
The IUPAC name of 4-amino-N-(3,3-dimethylbutyl)-N-propylbenzenesulfonamide (CID 163733068) is 4-amino-N-(3,3-dimethylbutyl)-N-propylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(3,3-dimethylbutyl)-N-propylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-(3,3-dimethylbutyl)-N-propylbenzenesulfonamide is CCCN(CCC(C)(C)C)S(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-(3,3-dimethylbutyl)-N-propylbenzenesulfonamide?
The InChIKey is LBGODQPLIWBGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-5-11-17(12-10-15(2,3)4)20(18,19)14-8-6-13(16)7-9-14/h6-9H,5,10-12,16H2,1-4H3.
What are the key properties of 4-amino-N-(3,3-dimethylbutyl)-N-propylbenzenesulfonamide?
4-amino-N-(3,3-dimethylbutyl)-N-propylbenzenesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3,3-dimethylbutyl)-N-propylbenzenesulfonamide is sourced from PubChem (CID 163733068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).