N-(cyclopropylsulfamoyl)-4-(ethylaminomethyl)aniline

C12H19N3O2S — CID 106911273

IUPACN-(cyclopropylsulfamoyl)-4-(ethylaminomethyl)aniline
SMILESCCNCc1ccc(NS(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C12H19N3O2S/c1-2-13-9-10-3-5-11(6-4-10)14-18(16,17)15-12-7-8-12/h3-6,12-15H,2,7-9H2,1H3
InChIKeyKGMHVODFMVOVJQ-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.20
Rot. Bonds7

About N-(cyclopropylsulfamoyl)-4-(ethylaminomethyl)aniline

N-(cyclopropylsulfamoyl)-4-(ethylaminomethyl)aniline (PubChem CID 106911273) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-(cyclopropylsulfamoyl)-4-(ethylaminomethyl)aniline.

Molecular Properties

Compound NameN-(cyclopropylsulfamoyl)-4-(ethylaminomethyl)aniline
PubChem CID106911273
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC NameN-(cyclopropylsulfamoyl)-4-(ethylaminomethyl)aniline
SMILESCCNCc1ccc(NS(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C12H19N3O2S/c1-2-13-9-10-3-5-11(6-4-10)14-18(16,17)15-12-7-8-12/h3-6,12-15H,2,7-9H2,1H3
InChIKeyKGMHVODFMVOVJQ-UHFFFAOYSA-N
XLogP1.20
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(cyclopropylsulfamoylamino)phenyl]ethanol
CID 114809379
N-cycloheptyl-4-(ethylaminomethyl)benzenesulfonamide
CID 28715786
propyl 4-(cyclopropylsulfamoylamino)benzoate
CID 104516933
N-[4-(ethylaminomethyl)phenyl]-2-methylpropane-2-sulfonamide
CID 106911292
N-(tert-butylsulfamoyl)-4-[(cyclopropylamino)methyl]aniline
CID 106911133
4-(ethylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide
CID 63361233
N-(cyclopentylsulfamoyl)-4-(3-pyrrolidin-1-ylpropyl)aniline
CID 110633806
N-[4-(ethylaminomethyl)phenyl]-5-methylthiophene-2-sulfonamide
CID 106911287
2-chloro-5-(cyclopropylsulfamoylamino)phenol
CID 114809187
N-(3,3-dimethylcyclopentyl)-4-(ethylaminomethyl)benzenesulfonamide
CID 114548187
2-[benzyl(propan-2-yl)amino]-1-[4-(cyclopropylsulfamoylamino)phenyl]ethanone
CID 21416973
N-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine
CID 79180625

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylsulfamoyl)-4-(ethylaminomethyl)aniline?
The IUPAC name of N-(cyclopropylsulfamoyl)-4-(ethylaminomethyl)aniline (CID 106911273) is N-(cyclopropylsulfamoyl)-4-(ethylaminomethyl)aniline.
What is the SMILES notation for N-(cyclopropylsulfamoyl)-4-(ethylaminomethyl)aniline?
The canonical SMILES for N-(cyclopropylsulfamoyl)-4-(ethylaminomethyl)aniline is CCNCc1ccc(NS(=O)(=O)NC2CC2)cc1.
What is the InChIKey of N-(cyclopropylsulfamoyl)-4-(ethylaminomethyl)aniline?
The InChIKey is KGMHVODFMVOVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-2-13-9-10-3-5-11(6-4-10)14-18(16,17)15-12-7-8-12/h3-6,12-15H,2,7-9H2,1H3.
What are the key properties of N-(cyclopropylsulfamoyl)-4-(ethylaminomethyl)aniline?
N-(cyclopropylsulfamoyl)-4-(ethylaminomethyl)aniline has a molecular weight of 269.37 g/mol, XLogP of 1.20, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylsulfamoyl)-4-(ethylaminomethyl)aniline is sourced from PubChem (CID 106911273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).