2-[(5-amino-2,2-dimethylpentyl)amino]-N-ethylbenzenesulfonamide

C15H27N3O2S — CID 106142885

IUPAC2-[(5-amino-2,2-dimethylpentyl)amino]-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1NCC(C)(C)CCCN
InChIInChI=1S/C15H27N3O2S/c1-4-18-21(19,20)14-9-6-5-8-13(14)17-12-15(2,3)10-7-11-16/h5-6,8-9,17-18H,4,7,10-12,16H2,1-3H3
InChIKeyYVKMZGLOKMDPJI-UHFFFAOYSA-N
MW313.47 g/mol
LogP2.16
Rot. Bonds9

About 2-[(5-amino-2,2-dimethylpentyl)amino]-N-ethylbenzenesulfonamide

2-[(5-amino-2,2-dimethylpentyl)amino]-N-ethylbenzenesulfonamide (PubChem CID 106142885) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is 2-[(5-amino-2,2-dimethylpentyl)amino]-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name2-[(5-amino-2,2-dimethylpentyl)amino]-N-ethylbenzenesulfonamide
PubChem CID106142885
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC Name2-[(5-amino-2,2-dimethylpentyl)amino]-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1NCC(C)(C)CCCN
InChIInChI=1S/C15H27N3O2S/c1-4-18-21(19,20)14-9-6-5-8-13(14)17-12-15(2,3)10-7-11-16/h5-6,8-9,17-18H,4,7,10-12,16H2,1-3H3
InChIKeyYVKMZGLOKMDPJI-UHFFFAOYSA-N
XLogP2.16
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,2-dimethylbutylamino)-N-ethylbenzenesulfonamide
CID 103462606
2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-ethylbenzenesulfonamide
CID 43454391
N-ethyl-2-hydrazinylbenzenesulfonamide
CID 43454365
N-ethyl-2-[3-(ethylamino)propylamino]benzenesulfonamide
CID 54907058
N-ethyl-2-(4-methylpentylamino)benzenesulfonamide
CID 54913733
N-ethyl-2-(2-hydroxypropylamino)benzenesulfonamide
CID 43500232
2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-N-ethylbenzenesulfonamide
CID 115310162
N-ethyl-2-(2-pyrrolidin-1-ylethylamino)benzenesulfonamide
CID 62640898
2-(ethylamino)-N-pentylbenzenesulfonamide
CID 62162464
N-cyclopropyl-2-(2,2-dimethylbutylamino)benzenesulfonamide
CID 103462650
N-ethyl-2-[[(E)-pent-3-enyl]amino]benzenesulfonamide
CID 113465748
N-ethyl-2-[(1-methylpyrazol-3-yl)amino]benzenesulfonamide
CID 79779402

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2,2-dimethylpentyl)amino]-N-ethylbenzenesulfonamide?
The IUPAC name of 2-[(5-amino-2,2-dimethylpentyl)amino]-N-ethylbenzenesulfonamide (CID 106142885) is 2-[(5-amino-2,2-dimethylpentyl)amino]-N-ethylbenzenesulfonamide.
What is the SMILES notation for 2-[(5-amino-2,2-dimethylpentyl)amino]-N-ethylbenzenesulfonamide?
The canonical SMILES for 2-[(5-amino-2,2-dimethylpentyl)amino]-N-ethylbenzenesulfonamide is CCNS(=O)(=O)c1ccccc1NCC(C)(C)CCCN.
What is the InChIKey of 2-[(5-amino-2,2-dimethylpentyl)amino]-N-ethylbenzenesulfonamide?
The InChIKey is YVKMZGLOKMDPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-4-18-21(19,20)14-9-6-5-8-13(14)17-12-15(2,3)10-7-11-16/h5-6,8-9,17-18H,4,7,10-12,16H2,1-3H3.
What are the key properties of 2-[(5-amino-2,2-dimethylpentyl)amino]-N-ethylbenzenesulfonamide?
2-[(5-amino-2,2-dimethylpentyl)amino]-N-ethylbenzenesulfonamide has a molecular weight of 313.47 g/mol, XLogP of 2.16, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2,2-dimethylpentyl)amino]-N-ethylbenzenesulfonamide is sourced from PubChem (CID 106142885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).