4-[(cyclopropylamino)methyl]-N-[3-(dimethylamino)propyl]benzenesulfonamide

C15H25N3O2S — CID 60821977

IUPAC4-[(cyclopropylamino)methyl]-N-[3-(dimethylamino)propyl]benzenesulfonamide
SMILESCN(C)CCCNS(=O)(=O)c1ccc(CNC2CC2)cc1
InChIInChI=1S/C15H25N3O2S/c1-18(2)11-3-10-17-21(19,20)15-8-4-13(5-9-15)12-16-14-6-7-14/h4-5,8-9,14,16-17H,3,6-7,10-12H2,1-2H3
InChIKeyOVZYEASQUQGNNS-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.17
Rot. Bonds9

About 4-[(cyclopropylamino)methyl]-N-[3-(dimethylamino)propyl]benzenesulfonamide

4-[(cyclopropylamino)methyl]-N-[3-(dimethylamino)propyl]benzenesulfonamide (PubChem CID 60821977) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-N-[3-(dimethylamino)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]-N-[3-(dimethylamino)propyl]benzenesulfonamide
PubChem CID60821977
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name4-[(cyclopropylamino)methyl]-N-[3-(dimethylamino)propyl]benzenesulfonamide
SMILESCN(C)CCCNS(=O)(=O)c1ccc(CNC2CC2)cc1
InChIInChI=1S/C15H25N3O2S/c1-18(2)11-3-10-17-21(19,20)15-8-4-13(5-9-15)12-16-14-6-7-14/h4-5,8-9,14,16-17H,3,6-7,10-12H2,1-2H3
InChIKeyOVZYEASQUQGNNS-UHFFFAOYSA-N
XLogP1.17
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 ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(cyclopropylamino)ethyl]-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 106032282
1-[4-[(cyclopropylamino)methyl]phenyl]-N-[2-(dimethylamino)ethyl]methanesulfonamide
CID 106032448
4-cyclopentyloxy-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 110408180
N-[3-(cyclopropylamino)propyl]-4-ethylbenzenesulfonamide
CID 43598649
4-butyl-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 19681719
5-[(cyclopropylamino)methyl]-N-[2-(dimethylamino)ethyl]-2-methylbenzenesulfonamide
CID 106032651
N-cyclopropyl-4-[(cyclopropylamino)methyl]benzenesulfonamide
CID 60822263
4-[3-(dimethylamino)propylsulfamoyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 109060291
N-[[4-[3-(dimethylamino)propoxymethyl]phenyl]methyl]cyclopropanamine
CID 62458464
N-[(4-ethylsulfonylphenyl)methyl]cyclopropanamine
CID 71015787
N-benzyl-4-[3-(dimethylamino)propylsulfamoyl]benzamide
CID 109060284
N'-[[4-[(cyclopropylamino)methyl]phenyl]methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102997477

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]-N-[3-(dimethylamino)propyl]benzenesulfonamide?
The IUPAC name of 4-[(cyclopropylamino)methyl]-N-[3-(dimethylamino)propyl]benzenesulfonamide (CID 60821977) is 4-[(cyclopropylamino)methyl]-N-[3-(dimethylamino)propyl]benzenesulfonamide.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]-N-[3-(dimethylamino)propyl]benzenesulfonamide?
The canonical SMILES for 4-[(cyclopropylamino)methyl]-N-[3-(dimethylamino)propyl]benzenesulfonamide is CN(C)CCCNS(=O)(=O)c1ccc(CNC2CC2)cc1.
What is the InChIKey of 4-[(cyclopropylamino)methyl]-N-[3-(dimethylamino)propyl]benzenesulfonamide?
The InChIKey is OVZYEASQUQGNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-18(2)11-3-10-17-21(19,20)15-8-4-13(5-9-15)12-16-14-6-7-14/h4-5,8-9,14,16-17H,3,6-7,10-12H2,1-2H3.
What are the key properties of 4-[(cyclopropylamino)methyl]-N-[3-(dimethylamino)propyl]benzenesulfonamide?
4-[(cyclopropylamino)methyl]-N-[3-(dimethylamino)propyl]benzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.17, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylamino)methyl]-N-[3-(dimethylamino)propyl]benzenesulfonamide is sourced from PubChem (CID 60821977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).