4-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide

C16H26N2O2S — CID 63958323

IUPAC4-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)(C)N(C)S(=O)(=O)c1ccc(CNC2CC2)cc1
InChIInChI=1S/C16H26N2O2S/c1-5-16(2,3)18(4)21(19,20)15-10-6-13(7-11-15)12-17-14-8-9-14/h6-7,10-11,14,17H,5,8-9,12H2,1-4H3
InChIKeyMFZLHYWBAUAXEL-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.75
Rot. Bonds7

About 4-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide

4-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide (PubChem CID 63958323) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
PubChem CID63958323
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name4-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)(C)N(C)S(=O)(=O)c1ccc(CNC2CC2)cc1
InChIInChI=1S/C16H26N2O2S/c1-5-16(2,3)18(4)21(19,20)15-10-6-13(7-11-15)12-17-14-8-9-14/h6-7,10-11,14,17H,5,8-9,12H2,1-4H3
InChIKeyMFZLHYWBAUAXEL-UHFFFAOYSA-N
XLogP2.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(cyclopropylamino)methyl]-N-methyl-N-pentan-2-ylbenzenesulfonamide
CID 60824035
N-[(4-ethylsulfonylphenyl)methyl]cyclopropanamine
CID 71015787
N-cyclopropyl-4-[(cyclopropylamino)methyl]benzenesulfonamide
CID 60822263
N-(tert-butylsulfamoyl)-4-[(cyclopropylamino)methyl]aniline
CID 106911133
1-[4-[(cyclopropylamino)methyl]phenyl]-N',N'-dimethylmethanesulfonohydrazide
CID 106074813
4-[(cyclopropylamino)methyl]-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 60821977
N-[[3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 63965008
N-[(4-ethylphenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 43224673
N-[[4-(2-methylbutan-2-yloxymethyl)phenyl]methyl]cyclopropanamine
CID 62456997
N-[[4-methoxy-3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 63982071
N-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]cyclopropanamine
CID 79178519
4-[(cyclopropylamino)methyl]-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 61464027

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 4-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide (CID 63958323) is 4-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide is CCC(C)(C)N(C)S(=O)(=O)c1ccc(CNC2CC2)cc1.
What is the InChIKey of 4-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is MFZLHYWBAUAXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-5-16(2,3)18(4)21(19,20)15-10-6-13(7-11-15)12-17-14-8-9-14/h6-7,10-11,14,17H,5,8-9,12H2,1-4H3.
What are the key properties of 4-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide?
4-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 63958323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).