N-[2-(dimethylamino)ethyl]-N-methyl-2-(propylamino)benzenesulfonamide

C14H25N3O2S — CID 63726361

IUPACN-[2-(dimethylamino)ethyl]-N-methyl-2-(propylamino)benzenesulfonamide
SMILESCCCNc1ccccc1S(=O)(=O)N(C)CCN(C)C
InChIInChI=1S/C14H25N3O2S/c1-5-10-15-13-8-6-7-9-14(13)20(18,19)17(4)12-11-16(2)3/h6-9,15H,5,10-12H2,1-4H3
InChIKeyNLIZQMQVSBABNY-UHFFFAOYSA-N
MW299.44 g/mol
LogP1.69
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-N-methyl-2-(propylamino)benzenesulfonamide

N-[2-(dimethylamino)ethyl]-N-methyl-2-(propylamino)benzenesulfonamide (PubChem CID 63726361) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-methyl-2-(propylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-methyl-2-(propylamino)benzenesulfonamide
PubChem CID63726361
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC NameN-[2-(dimethylamino)ethyl]-N-methyl-2-(propylamino)benzenesulfonamide
SMILESCCCNc1ccccc1S(=O)(=O)N(C)CCN(C)C
InChIInChI=1S/C14H25N3O2S/c1-5-10-15-13-8-6-7-9-14(13)20(18,19)17(4)12-11-16(2)3/h6-9,15H,5,10-12H2,1-4H3
InChIKeyNLIZQMQVSBABNY-UHFFFAOYSA-N
XLogP1.69
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(4-methylpentan-2-yl)-2-(propylamino)benzenesulfonamide
CID 62152581
N-methyl-2-(methylamino)-N-pentylbenzenesulfonamide
CID 62143951
N-butan-2-yl-N-ethyl-2-(propylamino)benzenesulfonamide
CID 62144303
2-[2-(diethylamino)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 43454463
N,N-dimethyl-2-(octylamino)benzenesulfonamide
CID 115568876
N-methyl-N-propyl-2-(propylamino)pyridine-3-sulfonamide
CID 62144977
N-methyl-N-(2-methylsulfanylethyl)-3-(propylamino)pyridine-2-sulfonamide
CID 103306973
2-hydrazinyl-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112661404
1-N,5-N-dimethyl-1-N,5-N-dipropylnaphthalene-1,5-disulfonamide
CID 54492944
N-(3-methoxypropyl)-N-methyl-2-(methylamino)benzenesulfonamide
CID 63009663
N-[3-(dimethylamino)propyl]-N-ethyl-2-(methylamino)benzenesulfonamide
CID 102996705
2-(3-aminobutylamino)-N,N-dimethylbenzenesulfonamide
CID 63251442

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-methyl-2-(propylamino)benzenesulfonamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-methyl-2-(propylamino)benzenesulfonamide (CID 63726361) is N-[2-(dimethylamino)ethyl]-N-methyl-2-(propylamino)benzenesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-methyl-2-(propylamino)benzenesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-methyl-2-(propylamino)benzenesulfonamide is CCCNc1ccccc1S(=O)(=O)N(C)CCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-methyl-2-(propylamino)benzenesulfonamide?
The InChIKey is NLIZQMQVSBABNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-5-10-15-13-8-6-7-9-14(13)20(18,19)17(4)12-11-16(2)3/h6-9,15H,5,10-12H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-methyl-2-(propylamino)benzenesulfonamide?
N-[2-(dimethylamino)ethyl]-N-methyl-2-(propylamino)benzenesulfonamide has a molecular weight of 299.44 g/mol, XLogP of 1.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-methyl-2-(propylamino)benzenesulfonamide is sourced from PubChem (CID 63726361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).