N-[3-(dimethylamino)propyl]-2-(3-methoxyphenyl)ethanesulfonamide

C14H24N2O3S — CID 110408195

IUPACN-[3-(dimethylamino)propyl]-2-(3-methoxyphenyl)ethanesulfonamide
SMILESCOc1cccc(CCS(=O)(=O)NCCCN(C)C)c1
InChIInChI=1S/C14H24N2O3S/c1-16(2)10-5-9-15-20(17,18)11-8-13-6-4-7-14(12-13)19-3/h4,6-7,12,15H,5,8-11H2,1-3H3
InChIKeyXOWWNJHJDIBVEL-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.11
Rot. Bonds9

About N-[3-(dimethylamino)propyl]-2-(3-methoxyphenyl)ethanesulfonamide

N-[3-(dimethylamino)propyl]-2-(3-methoxyphenyl)ethanesulfonamide (PubChem CID 110408195) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-(3-methoxyphenyl)ethanesulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-(3-methoxyphenyl)ethanesulfonamide
PubChem CID110408195
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC NameN-[3-(dimethylamino)propyl]-2-(3-methoxyphenyl)ethanesulfonamide
SMILESCOc1cccc(CCS(=O)(=O)NCCCN(C)C)c1
InChIInChI=1S/C14H24N2O3S/c1-16(2)10-5-9-15-20(17,18)11-8-13-6-4-7-14(12-13)19-3/h4,6-7,12,15H,5,8-11H2,1-3H3
InChIKeyXOWWNJHJDIBVEL-UHFFFAOYSA-N
XLogP1.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.11
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

2-(3-methoxyphenyl)-N-prop-2-enylethanesulfonamide
CID 110406486
N-benzyl-2-(3-methoxyphenyl)ethanesulfonamide
CID 110408872
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110606554
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110412902
N-[2-(diethylamino)propyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110620333
1-methoxy-3-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]benzene
CID 106087668
N-[(4-fluorophenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110409723
2-(4-tert-butylphenyl)-N-[3-(dimethylamino)propyl]ethanesulfonamide
CID 110296999
N-(3,4-dimethoxyphenyl)-2-(3-methoxyphenyl)ethanesulfonamide
CID 110423119
N-[(1-hydroxycyclopentyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110626462
N-[(3-methoxyphenyl)methyl]-3-phenylpropane-1-sulfonamide
CID 110779943
N-[2-[3-(dimethylamino)propylsulfamoyl]ethyl]-4-methoxybenzamide
CID 7618197

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-(3-methoxyphenyl)ethanesulfonamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-(3-methoxyphenyl)ethanesulfonamide (CID 110408195) is N-[3-(dimethylamino)propyl]-2-(3-methoxyphenyl)ethanesulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-(3-methoxyphenyl)ethanesulfonamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-(3-methoxyphenyl)ethanesulfonamide is COc1cccc(CCS(=O)(=O)NCCCN(C)C)c1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-(3-methoxyphenyl)ethanesulfonamide?
The InChIKey is XOWWNJHJDIBVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-16(2)10-5-9-15-20(17,18)11-8-13-6-4-7-14(12-13)19-3/h4,6-7,12,15H,5,8-11H2,1-3H3.
What are the key properties of N-[3-(dimethylamino)propyl]-2-(3-methoxyphenyl)ethanesulfonamide?
N-[3-(dimethylamino)propyl]-2-(3-methoxyphenyl)ethanesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 1.11, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-(3-methoxyphenyl)ethanesulfonamide is sourced from PubChem (CID 110408195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).