4-N-(3-aminopropyl)-1-N,4-N-dimethylbenzene-1,4-disulfonamide

C11H19N3O4S2 — CID 115319076

IUPAC4-N-(3-aminopropyl)-1-N,4-N-dimethylbenzene-1,4-disulfonamide
SMILESCNS(=O)(=O)c1ccc(S(=O)(=O)N(C)CCCN)cc1
InChIInChI=1S/C11H19N3O4S2/c1-13-19(15,16)10-4-6-11(7-5-10)20(17,18)14(2)9-3-8-12/h4-7,13H,3,8-9,12H2,1-2H3
InChIKeyBSLDPMMDYBURTA-UHFFFAOYSA-N
MW321.42 g/mol
LogP-0.44
Rot. Bonds7

About 4-N-(3-aminopropyl)-1-N,4-N-dimethylbenzene-1,4-disulfonamide

4-N-(3-aminopropyl)-1-N,4-N-dimethylbenzene-1,4-disulfonamide (PubChem CID 115319076) has the molecular formula C11H19N3O4S2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 4-N-(3-aminopropyl)-1-N,4-N-dimethylbenzene-1,4-disulfonamide.

Molecular Properties

Compound Name4-N-(3-aminopropyl)-1-N,4-N-dimethylbenzene-1,4-disulfonamide
PubChem CID115319076
Molecular FormulaC11H19N3O4S2
Molecular Weight321.42 g/mol
Exact Mass321.08
IUPAC Name4-N-(3-aminopropyl)-1-N,4-N-dimethylbenzene-1,4-disulfonamide
SMILESCNS(=O)(=O)c1ccc(S(=O)(=O)N(C)CCCN)cc1
InChIInChI=1S/C11H19N3O4S2/c1-13-19(15,16)10-4-6-11(7-5-10)20(17,18)14(2)9-3-8-12/h4-7,13H,3,8-9,12H2,1-2H3
InChIKeyBSLDPMMDYBURTA-UHFFFAOYSA-N
XLogP-0.44
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-aminopropyl)-N-methyl-4-(trifluoromethyl)benzenesulfonamide
CID 115319055
N-(3-aminopropyl)-3,4-dichloro-N-methylbenzenesulfonamide
CID 98781428
N-(3-aminopropyl)-4-bromo-3-fluoro-N-methylbenzenesulfonamide
CID 103829034
N-(2-aminoethyl)-N,4-dimethylbenzenesulfonamide
CID 10376490
N-(3-aminopropyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide;hydrochloride
CID 119405561
4-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-methylbenzenesulfonamide
CID 55225592
N-butyl-4-iodo-N-methylbenzenesulfonamide
CID 4992197
4-[2-aminoethyl(ethyl)amino]-N-methylbenzenesulfonamide
CID 63766633
N-[3-(dimethylamino)propyl]-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide
CID 63700082
N,4-dibutyl-N-methylbenzenesulfonamide
CID 3736049
N-(3-aminopropyl)-N-methylnaphthalene-1-sulfonamide
CID 115752504
N-butyl-4-[butyl(methyl)sulfamoyl]-N-methylbenzamide
CID 109061421

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-aminopropyl)-1-N,4-N-dimethylbenzene-1,4-disulfonamide?
The IUPAC name of 4-N-(3-aminopropyl)-1-N,4-N-dimethylbenzene-1,4-disulfonamide (CID 115319076) is 4-N-(3-aminopropyl)-1-N,4-N-dimethylbenzene-1,4-disulfonamide.
What is the SMILES notation for 4-N-(3-aminopropyl)-1-N,4-N-dimethylbenzene-1,4-disulfonamide?
The canonical SMILES for 4-N-(3-aminopropyl)-1-N,4-N-dimethylbenzene-1,4-disulfonamide is CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)CCCN)cc1.
What is the InChIKey of 4-N-(3-aminopropyl)-1-N,4-N-dimethylbenzene-1,4-disulfonamide?
The InChIKey is BSLDPMMDYBURTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S2/c1-13-19(15,16)10-4-6-11(7-5-10)20(17,18)14(2)9-3-8-12/h4-7,13H,3,8-9,12H2,1-2H3.
What are the key properties of 4-N-(3-aminopropyl)-1-N,4-N-dimethylbenzene-1,4-disulfonamide?
4-N-(3-aminopropyl)-1-N,4-N-dimethylbenzene-1,4-disulfonamide has a molecular weight of 321.42 g/mol, XLogP of -0.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-aminopropyl)-1-N,4-N-dimethylbenzene-1,4-disulfonamide is sourced from PubChem (CID 115319076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).