4-[3-(dimethylamino)propylamino]-N-methylbenzenesulfonamide

C12H21N3O2S — CID 43383354

IUPAC4-[3-(dimethylamino)propylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCCCN(C)C)cc1
InChIInChI=1S/C12H21N3O2S/c1-13-18(16,17)12-7-5-11(6-8-12)14-9-4-10-15(2)3/h5-8,13-14H,4,9-10H2,1-3H3
InChIKeySZKMIHFUYFFKSY-UHFFFAOYSA-N
MW271.39 g/mol
LogP0.96
Rot. Bonds7

About 4-[3-(dimethylamino)propylamino]-N-methylbenzenesulfonamide

4-[3-(dimethylamino)propylamino]-N-methylbenzenesulfonamide (PubChem CID 43383354) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propylamino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[3-(dimethylamino)propylamino]-N-methylbenzenesulfonamide
PubChem CID43383354
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name4-[3-(dimethylamino)propylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCCCN(C)C)cc1
InChIInChI=1S/C12H21N3O2S/c1-13-18(16,17)12-7-5-11(6-8-12)14-9-4-10-15(2)3/h5-8,13-14H,4,9-10H2,1-3H3
InChIKeySZKMIHFUYFFKSY-UHFFFAOYSA-N
XLogP0.96
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-hydroxypropylamino)-N-methylbenzenesulfonamide
CID 43453851
4-[3-(dimethylamino)propylamino]benzenesulfonamide
CID 23290121
4-tert-butyl-N-[4-[3-(dimethylamino)propylamino]phenyl]benzenesulfonamide
CID 112981608
4-(6-hydroxyhexylamino)-N-methylbenzenesulfonamide
CID 107848765
N-[4-[3-(dimethylamino)propylamino]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 112981589
4-[2-(dimethylamino)ethylamino]-N-propylbenzenesulfonamide
CID 43454080
N-methyl-4-(2,2,2-trifluoroethylamino)benzenesulfonamide
CID 43453835
3-[4-(methylsulfamoyl)anilino]propanamide
CID 43553678
4-[3-(diethylamino)propylamino]-N-ethylbenzenesulfonamide
CID 43453969
tert-butyl N-[3-[4-(methylsulfamoyl)anilino]propyl]carbamate
CID 103821850
N-methyl-4-(2-propan-2-yloxyethylamino)benzenesulfonamide
CID 104762386
N',N'-dimethyl-N-(4-methylsulfanylphenyl)propane-1,3-diamine
CID 114525043

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propylamino]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[3-(dimethylamino)propylamino]-N-methylbenzenesulfonamide (CID 43383354) is 4-[3-(dimethylamino)propylamino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[3-(dimethylamino)propylamino]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[3-(dimethylamino)propylamino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(NCCCN(C)C)cc1.
What is the InChIKey of 4-[3-(dimethylamino)propylamino]-N-methylbenzenesulfonamide?
The InChIKey is SZKMIHFUYFFKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-13-18(16,17)12-7-5-11(6-8-12)14-9-4-10-15(2)3/h5-8,13-14H,4,9-10H2,1-3H3.
What are the key properties of 4-[3-(dimethylamino)propylamino]-N-methylbenzenesulfonamide?
4-[3-(dimethylamino)propylamino]-N-methylbenzenesulfonamide has a molecular weight of 271.39 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propylamino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 43383354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).