4-[3-methoxy-2-(propylamino)propyl]-N,N-dimethylbenzenesulfonamide

C15H26N2O3S — CID 63197602

IUPAC4-[3-methoxy-2-(propylamino)propyl]-N,N-dimethylbenzenesulfonamide
SMILESCCCNC(COC)Cc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C15H26N2O3S/c1-5-10-16-14(12-20-4)11-13-6-8-15(9-7-13)21(18,19)17(2)3/h6-9,14,16H,5,10-12H2,1-4H3
InChIKeyOHOYNBUVTIDGLC-UHFFFAOYSA-N
MW314.45 g/mol
LogP1.49
Rot. Bonds9

About 4-[3-methoxy-2-(propylamino)propyl]-N,N-dimethylbenzenesulfonamide

4-[3-methoxy-2-(propylamino)propyl]-N,N-dimethylbenzenesulfonamide (PubChem CID 63197602) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is 4-[3-methoxy-2-(propylamino)propyl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[3-methoxy-2-(propylamino)propyl]-N,N-dimethylbenzenesulfonamide
PubChem CID63197602
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC Name4-[3-methoxy-2-(propylamino)propyl]-N,N-dimethylbenzenesulfonamide
SMILESCCCNC(COC)Cc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C15H26N2O3S/c1-5-10-16-14(12-20-4)11-13-6-8-15(9-7-13)21(18,19)17(2)3/h6-9,14,16H,5,10-12H2,1-4H3
InChIKeyOHOYNBUVTIDGLC-UHFFFAOYSA-N
XLogP1.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxy-3-(4-methylsulfonylphenyl)-N-propylpropan-2-amine
CID 63197601
N,N-dimethyl-4-(2-methylpropyl)benzenesulfonamide
CID 14574391
1-methoxy-3-(4-methoxyphenyl)sulfonyl-N-propylpropan-2-amine
CID 107508514
N-ethyl-4-[2-(propylamino)butyl]benzenesulfonamide
CID 63202263
4-(2-hydroxybutyl)-N,N-dimethylbenzenesulfonamide
CID 55163578
N,N-dimethyl-4-[3-(propylamino)pentan-2-yl]benzenesulfonamide
CID 63560932
4-(2-chloropropyl)-N,N-dimethylbenzenesulfonamide
CID 63205177
N,N-dimethyl-4-[3-methyl-2-(methylamino)butyl]benzenesulfonamide
CID 63202313
5-methoxy-1-(4-methoxyphenyl)-N-propylpentan-2-amine
CID 112688247
1-methoxy-3-(2-methoxyethylsulfonyl)-N-propylpropan-2-amine
CID 107508592
1-methoxy-N-propyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 62605208
1-(4-chlorophenyl)-5-methoxy-N-propylpentan-2-amine
CID 62601304

Frequently Asked Questions

What is the IUPAC name of 4-[3-methoxy-2-(propylamino)propyl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[3-methoxy-2-(propylamino)propyl]-N,N-dimethylbenzenesulfonamide (CID 63197602) is 4-[3-methoxy-2-(propylamino)propyl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[3-methoxy-2-(propylamino)propyl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[3-methoxy-2-(propylamino)propyl]-N,N-dimethylbenzenesulfonamide is CCCNC(COC)Cc1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 4-[3-methoxy-2-(propylamino)propyl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is OHOYNBUVTIDGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-5-10-16-14(12-20-4)11-13-6-8-15(9-7-13)21(18,19)17(2)3/h6-9,14,16H,5,10-12H2,1-4H3.
What are the key properties of 4-[3-methoxy-2-(propylamino)propyl]-N,N-dimethylbenzenesulfonamide?
4-[3-methoxy-2-(propylamino)propyl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 314.45 g/mol, XLogP of 1.49, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methoxy-2-(propylamino)propyl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 63197602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).