N-[3-(dimethylamino)propyl]-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide

C15H27N3O2S — CID 63700082

IUPACN-[3-(dimethylamino)propyl]-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide
SMILESCNC(C)c1ccc(S(=O)(=O)N(C)CCCN(C)C)cc1
InChIInChI=1S/C15H27N3O2S/c1-13(16-2)14-7-9-15(10-8-14)21(19,20)18(5)12-6-11-17(3)4/h7-10,13,16H,6,11-12H2,1-5H3
InChIKeyOBMMBHAKOZYJEC-UHFFFAOYSA-N
MW313.47 g/mol
LogP1.54
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide

N-[3-(dimethylamino)propyl]-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide (PubChem CID 63700082) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide
PubChem CID63700082
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC NameN-[3-(dimethylamino)propyl]-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide
SMILESCNC(C)c1ccc(S(=O)(=O)N(C)CCCN(C)C)cc1
InChIInChI=1S/C15H27N3O2S/c1-13(16-2)14-7-9-15(10-8-14)21(19,20)18(5)12-6-11-17(3)4/h7-10,13,16H,6,11-12H2,1-5H3
InChIKeyOBMMBHAKOZYJEC-UHFFFAOYSA-N
XLogP1.54
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxypropyl)-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide
CID 62337347
N-(cyclopropylmethyl)-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide
CID 54884270
4-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-methylbenzenesulfonamide
CID 55225592
4-[1-(ethylamino)ethyl]-N-methyl-N-propylbenzenesulfonamide
CID 43507083
N-[1-(4-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 46806846
N-butyl-4-(1-hydroxyethyl)-N-methylbenzenesulfonamide
CID 43507359
2-[4-[3-(dimethylamino)propyl-methylsulfamoyl]phenyl]acetic acid
CID 63694485
4-(cyanomethyl)-N-[3-(dimethylamino)propyl]-N-methylbenzenesulfonamide
CID 79195632
N-methyl-3-[1-(methylamino)ethyl]-N-propylbenzenesulfonamide
CID 43507081
4-N-(3-aminopropyl)-1-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 115319076
4-(1-aminoethyl)-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide
CID 107200603
4-[benzenesulfonyl(methyl)amino]-N-(1-phenylethyl)butanamide
CID 132654297

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide (CID 63700082) is N-[3-(dimethylamino)propyl]-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide is CNC(C)c1ccc(S(=O)(=O)N(C)CCCN(C)C)cc1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide?
The InChIKey is OBMMBHAKOZYJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-13(16-2)14-7-9-15(10-8-14)21(19,20)18(5)12-6-11-17(3)4/h7-10,13,16H,6,11-12H2,1-5H3.
What are the key properties of N-[3-(dimethylamino)propyl]-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide?
N-[3-(dimethylamino)propyl]-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide has a molecular weight of 313.47 g/mol, XLogP of 1.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 63700082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).