3-amino-N-(5-amino-2,2-dimethylpentyl)-N-ethylbenzenesulfonamide;ethane

C17H33N3O2S — CID 142012161

IUPAC3-amino-N-(5-amino-2,2-dimethylpentyl)-N-ethylbenzenesulfonamide;ethane
SMILESCC.CCN(CC(C)(C)CCCN)S(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C15H27N3O2S.C2H6/c1-4-18(12-15(2,3)9-6-10-16)21(19,20)14-8-5-7-13(17)11-14;1-2/h5,7-8,11H,4,6,9-10,12,16-17H2,1-3H3;1-2H3
InChIKeyGWIXYQYVKWBBNS-UHFFFAOYSA-N
MW343.54 g/mol
LogP3.07
Rot. Bonds8

About 3-amino-N-(5-amino-2,2-dimethylpentyl)-N-ethylbenzenesulfonamide;ethane

3-amino-N-(5-amino-2,2-dimethylpentyl)-N-ethylbenzenesulfonamide;ethane (PubChem CID 142012161) has the molecular formula C17H33N3O2S and a molecular weight of 343.54 g/mol. Its IUPAC name is 3-amino-N-(5-amino-2,2-dimethylpentyl)-N-ethylbenzenesulfonamide;ethane.

Molecular Properties

Compound Name3-amino-N-(5-amino-2,2-dimethylpentyl)-N-ethylbenzenesulfonamide;ethane
PubChem CID142012161
Molecular FormulaC17H33N3O2S
Molecular Weight343.54 g/mol
Exact Mass343.23
IUPAC Name3-amino-N-(5-amino-2,2-dimethylpentyl)-N-ethylbenzenesulfonamide;ethane
SMILESCC.CCN(CC(C)(C)CCCN)S(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C15H27N3O2S.C2H6/c1-4-18(12-15(2,3)9-6-10-16)21(19,20)14-8-5-7-13(17)11-14;1-2/h5,7-8,11H,4,6,9-10,12,16-17H2,1-3H3;1-2H3
InChIKeyGWIXYQYVKWBBNS-UHFFFAOYSA-N
XLogP3.07
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.54
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-amino-2,2-dimethylpentyl)-N-ethylbenzenesulfonamide;ethane?
The IUPAC name of 3-amino-N-(5-amino-2,2-dimethylpentyl)-N-ethylbenzenesulfonamide;ethane (CID 142012161) is 3-amino-N-(5-amino-2,2-dimethylpentyl)-N-ethylbenzenesulfonamide;ethane.
What is the SMILES notation for 3-amino-N-(5-amino-2,2-dimethylpentyl)-N-ethylbenzenesulfonamide;ethane?
The canonical SMILES for 3-amino-N-(5-amino-2,2-dimethylpentyl)-N-ethylbenzenesulfonamide;ethane is CC.CCN(CC(C)(C)CCCN)S(=O)(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N-(5-amino-2,2-dimethylpentyl)-N-ethylbenzenesulfonamide;ethane?
The InChIKey is GWIXYQYVKWBBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S.C2H6/c1-4-18(12-15(2,3)9-6-10-16)21(19,20)14-8-5-7-13(17)11-14;1-2/h5,7-8,11H,4,6,9-10,12,16-17H2,1-3H3;1-2H3.
What are the key properties of 3-amino-N-(5-amino-2,2-dimethylpentyl)-N-ethylbenzenesulfonamide;ethane?
3-amino-N-(5-amino-2,2-dimethylpentyl)-N-ethylbenzenesulfonamide;ethane has a molecular weight of 343.54 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-amino-2,2-dimethylpentyl)-N-ethylbenzenesulfonamide;ethane is sourced from PubChem (CID 142012161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).