N-(3-aminopropyl)-N-(2-methoxyethyl)-1-phenylmethanesulfonamide

C13H22N2O3S — CID 63287056

IUPACN-(3-aminopropyl)-N-(2-methoxyethyl)-1-phenylmethanesulfonamide
SMILESCOCCN(CCCN)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C13H22N2O3S/c1-18-11-10-15(9-5-8-14)19(16,17)12-13-6-3-2-4-7-13/h2-4,6-7H,5,8-12,14H2,1H3
InChIKeyIOUPHBCXXLXEHN-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.81
Rot. Bonds9

About N-(3-aminopropyl)-N-(2-methoxyethyl)-1-phenylmethanesulfonamide

N-(3-aminopropyl)-N-(2-methoxyethyl)-1-phenylmethanesulfonamide (PubChem CID 63287056) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-(2-methoxyethyl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-(2-methoxyethyl)-1-phenylmethanesulfonamide
PubChem CID63287056
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC NameN-(3-aminopropyl)-N-(2-methoxyethyl)-1-phenylmethanesulfonamide
SMILESCOCCN(CCCN)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C13H22N2O3S/c1-18-11-10-15(9-5-8-14)19(16,17)12-13-6-3-2-4-7-13/h2-4,6-7H,5,8-12,14H2,1H3
InChIKeyIOUPHBCXXLXEHN-UHFFFAOYSA-N
XLogP0.81
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-1-phenyl-N-propylmethanesulfonamide
CID 43136946
N-(3-aminopropyl)-N-benzyl-2-methoxyethanesulfonamide;hydrochloride
CID 120664287
N-(2-aminoethyl)-N-butyl-1-phenylmethanesulfonamide
CID 63766951
1-[2-(aminomethyl)phenyl]-N,N-bis(2-methoxyethyl)methanesulfonamide
CID 43588640
N-(3-aminopropyl)-N-(2-methoxyethyl)-1-methylsulfonylmethanesulfonamide
CID 82839573
N-(3-aminopropyl)-N-(2-methoxyethyl)butane-1-sulfonamide
CID 63287729
methyl 3-[3-aminopropyl(benzyl)sulfamoyl]propanoate
CID 107366691
N-dodecyl-N-[2-(hydroxyamino)oxyethyl]-1-phenylmethanesulfonamide
CID 54016004
N-(2-bromoethyl)-N-butyl-1-phenylmethanesulfonamide
CID 80669812
N-(2-aminoethyl)-N-methyl-1-phenylmethanesulfonamide
CID 61351029
4-[[2-methoxyethyl(prop-2-enyl)sulfamoyl]methyl]benzoic acid
CID 103338521
N-(3-aminopropyl)-N-(2-methoxyethyl)-3,4-dimethylbenzenesulfonamide
CID 63287373

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-(2-methoxyethyl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-(2-methoxyethyl)-1-phenylmethanesulfonamide (CID 63287056) is N-(3-aminopropyl)-N-(2-methoxyethyl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-(2-methoxyethyl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-(2-methoxyethyl)-1-phenylmethanesulfonamide is COCCN(CCCN)S(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-(3-aminopropyl)-N-(2-methoxyethyl)-1-phenylmethanesulfonamide?
The InChIKey is IOUPHBCXXLXEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-18-11-10-15(9-5-8-14)19(16,17)12-13-6-3-2-4-7-13/h2-4,6-7H,5,8-12,14H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-(2-methoxyethyl)-1-phenylmethanesulfonamide?
N-(3-aminopropyl)-N-(2-methoxyethyl)-1-phenylmethanesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 0.81, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-(2-methoxyethyl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 63287056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).