2-(2-amino-2-cyclopropylethyl)-N,N-dimethylbenzenesulfonamide

C13H20N2O2S — CID 55201286

IUPAC2-(2-amino-2-cyclopropylethyl)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccccc1CC(N)C1CC1
InChIInChI=1S/C13H20N2O2S/c1-15(2)18(16,17)13-6-4-3-5-11(13)9-12(14)10-7-8-10/h3-6,10,12H,7-9,14H2,1-2H3
InChIKeyASLULMNAFXARKJ-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.22
Rot. Bonds5

About 2-(2-amino-2-cyclopropylethyl)-N,N-dimethylbenzenesulfonamide

2-(2-amino-2-cyclopropylethyl)-N,N-dimethylbenzenesulfonamide (PubChem CID 55201286) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-(2-amino-2-cyclopropylethyl)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-(2-amino-2-cyclopropylethyl)-N,N-dimethylbenzenesulfonamide
PubChem CID55201286
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-(2-amino-2-cyclopropylethyl)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccccc1CC(N)C1CC1
InChIInChI=1S/C13H20N2O2S/c1-15(2)18(16,17)13-6-4-3-5-11(13)9-12(14)10-7-8-10/h3-6,10,12H,7-9,14H2,1-2H3
InChIKeyASLULMNAFXARKJ-UHFFFAOYSA-N
XLogP1.22
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-amino-2-cyclopropylethyl)amino]-N,N-dimethylbenzenesulfonamide
CID 63759663
2-(2-amino-2-cyclopropylethyl)-N-propylbenzenesulfonamide
CID 63352995
2-(2-amino-2-cyclopropylethyl)phenol
CID 83827756
2-amino-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120785294
N,N-dimethyl-2-[2-(methylamino)butyl]benzenesulfonamide
CID 63202014
1-N-(2-amino-1-cyclopropylethyl)-2-N,2-N-dimethylbenzene-1,2-disulfonamide;hydrochloride
CID 120711256
N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-methyl-2-(trifluoromethyl)benzenesulfonamide
CID 53326691
N,N-dimethyl-2-[[(2-methylsulfonylcyclohexyl)amino]methyl]benzenesulfonamide
CID 136520483
2-[2-cyclopropyl-2-(propylamino)ethyl]benzenesulfonamide
CID 63355092
cis-(1S,2R)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 26247678
2-(3,3-dimethyl-2-oxobutyl)-N,N-dimethylbenzenesulfonamide
CID 63198745
1-(2-bromo-2-cyclopropylethyl)-2-ethylsulfonylbenzene
CID 55190865

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-cyclopropylethyl)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 2-(2-amino-2-cyclopropylethyl)-N,N-dimethylbenzenesulfonamide (CID 55201286) is 2-(2-amino-2-cyclopropylethyl)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-(2-amino-2-cyclopropylethyl)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2-(2-amino-2-cyclopropylethyl)-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccccc1CC(N)C1CC1.
What is the InChIKey of 2-(2-amino-2-cyclopropylethyl)-N,N-dimethylbenzenesulfonamide?
The InChIKey is ASLULMNAFXARKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-15(2)18(16,17)13-6-4-3-5-11(13)9-12(14)10-7-8-10/h3-6,10,12H,7-9,14H2,1-2H3.
What are the key properties of 2-(2-amino-2-cyclopropylethyl)-N,N-dimethylbenzenesulfonamide?
2-(2-amino-2-cyclopropylethyl)-N,N-dimethylbenzenesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-cyclopropylethyl)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 55201286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).