2-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide

C15H24N2O3S — CID 81064012

IUPAC2-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide
SMILESCCOCCN(C)S(=O)(=O)c1ccccc1CNC1CC1
InChIInChI=1S/C15H24N2O3S/c1-3-20-11-10-17(2)21(18,19)15-7-5-4-6-13(15)12-16-14-8-9-14/h4-7,14,16H,3,8-12H2,1-2H3
InChIKeyMBQLNKJVYCFHOO-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.60
Rot. Bonds9

About 2-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide

2-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide (PubChem CID 81064012) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide
PubChem CID81064012
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name2-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide
SMILESCCOCCN(C)S(=O)(=O)c1ccccc1CNC1CC1
InChIInChI=1S/C15H24N2O3S/c1-3-20-11-10-17(2)21(18,19)15-7-5-4-6-13(15)12-16-14-8-9-14/h4-7,14,16H,3,8-12H2,1-2H3
InChIKeyMBQLNKJVYCFHOO-UHFFFAOYSA-N
XLogP1.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethoxyethyl)-N-methyl-2-(methylaminomethyl)benzenesulfonamide
CID 81068198
5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylthiophene-3-sulfonamide
CID 81068752
2-[(cyclopropylmethylamino)methyl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 111122916
2-[(cyclopropylamino)methyl]-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide
CID 106055884
3-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 81064006
N-methyl-2-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81067996
2-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide
CID 81064513
5-chloro-N-(2-ethoxyethyl)-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide
CID 82878475
N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]cyclopropanamine
CID 43277400
2-[(cyclopropylamino)methyl]-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 106030014
N-(cyclobutylmethyl)-2-[(cyclopropylamino)methyl]benzenesulfonamide
CID 106024752
N-[[2-[2-[butan-2-yl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine
CID 62418765

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide?
The IUPAC name of 2-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide (CID 81064012) is 2-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 2-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide is CCOCCN(C)S(=O)(=O)c1ccccc1CNC1CC1.
What is the InChIKey of 2-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide?
The InChIKey is MBQLNKJVYCFHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-3-20-11-10-17(2)21(18,19)15-7-5-4-6-13(15)12-16-14-8-9-14/h4-7,14,16H,3,8-12H2,1-2H3.
What are the key properties of 2-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide?
2-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.60, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 81064012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).