4-[2-(cyclopropylamino)ethyl]-N-[2-(dimethylamino)ethyl]benzenesulfonamide

C15H25N3O2S — CID 106032282

IUPAC4-[2-(cyclopropylamino)ethyl]-N-[2-(dimethylamino)ethyl]benzenesulfonamide
SMILESCN(C)CCNS(=O)(=O)c1ccc(CCNC2CC2)cc1
InChIInChI=1S/C15H25N3O2S/c1-18(2)12-11-17-21(19,20)15-7-3-13(4-8-15)9-10-16-14-5-6-14/h3-4,7-8,14,16-17H,5-6,9-12H2,1-2H3
InChIKeyNHYCOOWUMPVBGO-UHFFFAOYSA-N
MW311.45 g/mol
LogP0.82
Rot. Bonds9

About 4-[2-(cyclopropylamino)ethyl]-N-[2-(dimethylamino)ethyl]benzenesulfonamide

4-[2-(cyclopropylamino)ethyl]-N-[2-(dimethylamino)ethyl]benzenesulfonamide (PubChem CID 106032282) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 4-[2-(cyclopropylamino)ethyl]-N-[2-(dimethylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(cyclopropylamino)ethyl]-N-[2-(dimethylamino)ethyl]benzenesulfonamide
PubChem CID106032282
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name4-[2-(cyclopropylamino)ethyl]-N-[2-(dimethylamino)ethyl]benzenesulfonamide
SMILESCN(C)CCNS(=O)(=O)c1ccc(CCNC2CC2)cc1
InChIInChI=1S/C15H25N3O2S/c1-18(2)12-11-17-21(19,20)15-7-3-13(4-8-15)9-10-16-14-5-6-14/h3-4,7-8,14,16-17H,5-6,9-12H2,1-2H3
InChIKeyNHYCOOWUMPVBGO-UHFFFAOYSA-N
XLogP0.82
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(cyclopropylamino)methyl]-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 60821977
N-[2-(dimethylamino)ethyl]-4-(3-hydroxypropyl)benzenesulfonamide
CID 39387794
N-[3-(cyclopropylamino)propyl]-4-ethylbenzenesulfonamide
CID 43598649
4-[2-(cyclopropylamino)ethyl]-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031297
5-[(cyclopropylamino)methyl]-N-[2-(dimethylamino)ethyl]-2-methylbenzenesulfonamide
CID 106032651
1-[4-[(cyclopropylamino)methyl]phenyl]-N-[2-(dimethylamino)ethyl]methanesulfonamide
CID 106032448
4-[2-(cyclopropylamino)ethyl]-N-pentan-2-ylbenzenesulfonamide
CID 106046169
4-butyl-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 19681719
N-[2-(dimethylamino)ethyl]-4-methylbenzenesulfonamide;propane
CID 143460096
4-[2-(cyclopropylamino)ethyl]-N-(oxolan-3-yl)benzenesulfonamide
CID 106072287
4-[2-[(4-aminocyclohexyl)amino]ethyl]benzenesulfonamide
CID 79742039
4-[2-[(3-methylcyclopentyl)amino]ethyl]benzenesulfonamide
CID 64500491

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopropylamino)ethyl]-N-[2-(dimethylamino)ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-(cyclopropylamino)ethyl]-N-[2-(dimethylamino)ethyl]benzenesulfonamide (CID 106032282) is 4-[2-(cyclopropylamino)ethyl]-N-[2-(dimethylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(cyclopropylamino)ethyl]-N-[2-(dimethylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-(cyclopropylamino)ethyl]-N-[2-(dimethylamino)ethyl]benzenesulfonamide is CN(C)CCNS(=O)(=O)c1ccc(CCNC2CC2)cc1.
What is the InChIKey of 4-[2-(cyclopropylamino)ethyl]-N-[2-(dimethylamino)ethyl]benzenesulfonamide?
The InChIKey is NHYCOOWUMPVBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-18(2)12-11-17-21(19,20)15-7-3-13(4-8-15)9-10-16-14-5-6-14/h3-4,7-8,14,16-17H,5-6,9-12H2,1-2H3.
What are the key properties of 4-[2-(cyclopropylamino)ethyl]-N-[2-(dimethylamino)ethyl]benzenesulfonamide?
4-[2-(cyclopropylamino)ethyl]-N-[2-(dimethylamino)ethyl]benzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 0.82, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopropylamino)ethyl]-N-[2-(dimethylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 106032282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).