1-[4-[(cyclopropylamino)methyl]phenyl]-N-[2-(dimethylamino)ethyl]methanesulfonamide

C15H25N3O2S — CID 106032448

IUPAC1-[4-[(cyclopropylamino)methyl]phenyl]-N-[2-(dimethylamino)ethyl]methanesulfonamide
SMILESCN(C)CCNS(=O)(=O)Cc1ccc(CNC2CC2)cc1
InChIInChI=1S/C15H25N3O2S/c1-18(2)10-9-17-21(19,20)12-14-5-3-13(4-6-14)11-16-15-7-8-15/h3-6,15-17H,7-12H2,1-2H3
InChIKeyVCRVTXHHBRFOIN-UHFFFAOYSA-N
MW311.45 g/mol
LogP0.92
Rot. Bonds9

About 1-[4-[(cyclopropylamino)methyl]phenyl]-N-[2-(dimethylamino)ethyl]methanesulfonamide

1-[4-[(cyclopropylamino)methyl]phenyl]-N-[2-(dimethylamino)ethyl]methanesulfonamide (PubChem CID 106032448) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 1-[4-[(cyclopropylamino)methyl]phenyl]-N-[2-(dimethylamino)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-[4-[(cyclopropylamino)methyl]phenyl]-N-[2-(dimethylamino)ethyl]methanesulfonamide
PubChem CID106032448
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name1-[4-[(cyclopropylamino)methyl]phenyl]-N-[2-(dimethylamino)ethyl]methanesulfonamide
SMILESCN(C)CCNS(=O)(=O)Cc1ccc(CNC2CC2)cc1
InChIInChI=1S/C15H25N3O2S/c1-18(2)10-9-17-21(19,20)12-14-5-3-13(4-6-14)11-16-15-7-8-15/h3-6,15-17H,7-12H2,1-2H3
InChIKeyVCRVTXHHBRFOIN-UHFFFAOYSA-N
XLogP0.92
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 ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(cyclopropylamino)methyl]phenyl]-N-[2-(dimethylamino)ethyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[(cyclopropylamino)methyl]phenyl]-N',N'-dimethylmethanesulfonohydrazide
CID 106074813
5-[(cyclopropylamino)methyl]-N-[2-(dimethylamino)ethyl]-2-methylbenzenesulfonamide
CID 106032651
4-[(cyclopropylamino)methyl]-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 60821977
1-[4-[(cyclopropylamino)methyl]phenyl]-N-(3-methylbutan-2-yl)methanesulfonamide
CID 106029974
4-[2-(cyclopropylamino)ethyl]-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 106032282
N-benzyl-1-[4-[(cyclopropylamino)methyl]phenyl]-N-methylmethanesulfonamide
CID 113241813
1-(4-cyanophenyl)-N-[2-(cyclopropylamino)ethyl]methanesulfonamide
CID 62664800
N-[2-[ethyl(methyl)amino]ethyl]-1-[4-(methylaminomethyl)phenyl]methanesulfonamide
CID 106055972
N-[[4-[3-(dimethylamino)propoxymethyl]phenyl]methyl]cyclopropanamine
CID 62458464
N-[(4-ethylsulfonylphenyl)methyl]cyclopropanamine
CID 71015787
N'-[[4-[(cyclopropylamino)methyl]phenyl]methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102997477
N-[2-(dimethylamino)ethyl]-1-[3-(methylaminomethyl)phenyl]methanesulfonamide
CID 106032445

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(cyclopropylamino)methyl]phenyl]-N-[2-(dimethylamino)ethyl]methanesulfonamide?
The IUPAC name of 1-[4-[(cyclopropylamino)methyl]phenyl]-N-[2-(dimethylamino)ethyl]methanesulfonamide (CID 106032448) is 1-[4-[(cyclopropylamino)methyl]phenyl]-N-[2-(dimethylamino)ethyl]methanesulfonamide.
What is the SMILES notation for 1-[4-[(cyclopropylamino)methyl]phenyl]-N-[2-(dimethylamino)ethyl]methanesulfonamide?
The canonical SMILES for 1-[4-[(cyclopropylamino)methyl]phenyl]-N-[2-(dimethylamino)ethyl]methanesulfonamide is CN(C)CCNS(=O)(=O)Cc1ccc(CNC2CC2)cc1.
What is the InChIKey of 1-[4-[(cyclopropylamino)methyl]phenyl]-N-[2-(dimethylamino)ethyl]methanesulfonamide?
The InChIKey is VCRVTXHHBRFOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-18(2)10-9-17-21(19,20)12-14-5-3-13(4-6-14)11-16-15-7-8-15/h3-6,15-17H,7-12H2,1-2H3.
What are the key properties of 1-[4-[(cyclopropylamino)methyl]phenyl]-N-[2-(dimethylamino)ethyl]methanesulfonamide?
1-[4-[(cyclopropylamino)methyl]phenyl]-N-[2-(dimethylamino)ethyl]methanesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 0.92, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(cyclopropylamino)methyl]phenyl]-N-[2-(dimethylamino)ethyl]methanesulfonamide is sourced from PubChem (CID 106032448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).