2-amino-6-methyl-N-propan-2-yl-N-propylbenzenesulfonamide

C13H22N2O2S — CID 43383281

IUPAC2-amino-6-methyl-N-propan-2-yl-N-propylbenzenesulfonamide
SMILESCCCN(C(C)C)S(=O)(=O)c1c(C)cccc1N
InChIInChI=1S/C13H22N2O2S/c1-5-9-15(10(2)3)18(16,17)13-11(4)7-6-8-12(13)14/h6-8,10H,5,9,14H2,1-4H3
InChIKeyWUULROJZQVLVIV-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.39
Rot. Bonds5

About 2-amino-6-methyl-N-propan-2-yl-N-propylbenzenesulfonamide

2-amino-6-methyl-N-propan-2-yl-N-propylbenzenesulfonamide (PubChem CID 43383281) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-amino-6-methyl-N-propan-2-yl-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-6-methyl-N-propan-2-yl-N-propylbenzenesulfonamide
PubChem CID43383281
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name2-amino-6-methyl-N-propan-2-yl-N-propylbenzenesulfonamide
SMILESCCCN(C(C)C)S(=O)(=O)c1c(C)cccc1N
InChIInChI=1S/C13H22N2O2S/c1-5-9-15(10(2)3)18(16,17)13-11(4)7-6-8-12(13)14/h6-8,10H,5,9,14H2,1-4H3
InChIKeyWUULROJZQVLVIV-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
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 2-amino-6-methyl-N-propan-2-yl-N-propylbenzenesulfonamide?
The IUPAC name of 2-amino-6-methyl-N-propan-2-yl-N-propylbenzenesulfonamide (CID 43383281) is 2-amino-6-methyl-N-propan-2-yl-N-propylbenzenesulfonamide.
What is the SMILES notation for 2-amino-6-methyl-N-propan-2-yl-N-propylbenzenesulfonamide?
The canonical SMILES for 2-amino-6-methyl-N-propan-2-yl-N-propylbenzenesulfonamide is CCCN(C(C)C)S(=O)(=O)c1c(C)cccc1N.
What is the InChIKey of 2-amino-6-methyl-N-propan-2-yl-N-propylbenzenesulfonamide?
The InChIKey is WUULROJZQVLVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-5-9-15(10(2)3)18(16,17)13-11(4)7-6-8-12(13)14/h6-8,10H,5,9,14H2,1-4H3.
What are the key properties of 2-amino-6-methyl-N-propan-2-yl-N-propylbenzenesulfonamide?
2-amino-6-methyl-N-propan-2-yl-N-propylbenzenesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-N-propan-2-yl-N-propylbenzenesulfonamide is sourced from PubChem (CID 43383281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).