2-[(cyclopropylmethylamino)methyl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide

C14H22N2O3S — CID 111122916

IUPAC2-[(cyclopropylmethylamino)methyl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
SMILESCN(CCO)S(=O)(=O)c1ccccc1CNCC1CC1
InChIInChI=1S/C14H22N2O3S/c1-16(8-9-17)20(18,19)14-5-3-2-4-13(14)11-15-10-12-6-7-12/h2-5,12,15,17H,6-11H2,1H3
InChIKeyWVMNRQSXHBCGJN-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.80
Rot. Bonds8

About 2-[(cyclopropylmethylamino)methyl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide

2-[(cyclopropylmethylamino)methyl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide (PubChem CID 111122916) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-[(cyclopropylmethylamino)methyl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-[(cyclopropylmethylamino)methyl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
PubChem CID111122916
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name2-[(cyclopropylmethylamino)methyl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
SMILESCN(CCO)S(=O)(=O)c1ccccc1CNCC1CC1
InChIInChI=1S/C14H22N2O3S/c1-16(8-9-17)20(18,19)14-5-3-2-4-13(14)11-15-10-12-6-7-12/h2-5,12,15,17H,6-11H2,1H3
InChIKeyWVMNRQSXHBCGJN-UHFFFAOYSA-N
XLogP0.80
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide
CID 81064012
2-chloro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 60962314
2-[[(5-cyano-2-pyridinyl)amino]methyl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 56805452
N-[[2-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]methyl]-8-methyl-1,8-diazaspiro[4.5]decane-1-carboxamide
CID 138997266
N-(2-ethoxyethyl)-N-methyl-2-(methylaminomethyl)benzenesulfonamide
CID 81068198
2-cyano-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 60961531
N-methyl-2-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81067996
2-[[(4-tert-butylcyclohexyl)methylamino]methyl]phenol
CID 114331599
2-[(cyclopropylmethylamino)methyl]-N-methylaniline
CID 106703472
N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 105421404
2-[(cyclopentylmethylamino)methyl]phenol
CID 43370918
N-[[2-(dimethylsulfamoyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119276890

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopropylmethylamino)methyl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide?
The IUPAC name of 2-[(cyclopropylmethylamino)methyl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide (CID 111122916) is 2-[(cyclopropylmethylamino)methyl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-[(cyclopropylmethylamino)methyl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 2-[(cyclopropylmethylamino)methyl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide is CN(CCO)S(=O)(=O)c1ccccc1CNCC1CC1.
What is the InChIKey of 2-[(cyclopropylmethylamino)methyl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide?
The InChIKey is WVMNRQSXHBCGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-16(8-9-17)20(18,19)14-5-3-2-4-13(14)11-15-10-12-6-7-12/h2-5,12,15,17H,6-11H2,1H3.
What are the key properties of 2-[(cyclopropylmethylamino)methyl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide?
2-[(cyclopropylmethylamino)methyl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 0.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopropylmethylamino)methyl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 111122916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).