N-[1-(dimethylamino)propan-2-yl]-N-ethyl-1-(ethylamino)propane-2-sulfonamide

C12H29N3O2S — CID 103192324

IUPACN-[1-(dimethylamino)propan-2-yl]-N-ethyl-1-(ethylamino)propane-2-sulfonamide
SMILESCCNCC(C)S(=O)(=O)N(CC)C(C)CN(C)C
InChIInChI=1S/C12H29N3O2S/c1-7-13-9-12(4)18(16,17)15(8-2)11(3)10-14(5)6/h11-13H,7-10H2,1-6H3
InChIKeyDKWXPXWEPRXYPM-UHFFFAOYSA-N
MW279.45 g/mol
LogP0.59
Rot. Bonds9

About N-[1-(dimethylamino)propan-2-yl]-N-ethyl-1-(ethylamino)propane-2-sulfonamide

N-[1-(dimethylamino)propan-2-yl]-N-ethyl-1-(ethylamino)propane-2-sulfonamide (PubChem CID 103192324) has the molecular formula C12H29N3O2S and a molecular weight of 279.45 g/mol. Its IUPAC name is N-[1-(dimethylamino)propan-2-yl]-N-ethyl-1-(ethylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)propan-2-yl]-N-ethyl-1-(ethylamino)propane-2-sulfonamide
PubChem CID103192324
Molecular FormulaC12H29N3O2S
Molecular Weight279.45 g/mol
Exact Mass279.20
IUPAC NameN-[1-(dimethylamino)propan-2-yl]-N-ethyl-1-(ethylamino)propane-2-sulfonamide
SMILESCCNCC(C)S(=O)(=O)N(CC)C(C)CN(C)C
InChIInChI=1S/C12H29N3O2S/c1-7-13-9-12(4)18(16,17)15(8-2)11(3)10-14(5)6/h11-13H,7-10H2,1-6H3
InChIKeyDKWXPXWEPRXYPM-UHFFFAOYSA-N
XLogP0.59
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(dimethylamino)propan-2-yl]-N-ethyl-1-(ethylamino)propane-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethylpropane-2-sulfonamide
CID 103188523
1-(ethylamino)-N-(2-methoxyethyl)-N-propan-2-ylpropane-2-sulfonamide
CID 82952792
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-(methylamino)ethanesulfonamide
CID 103189757
N-[2-(dimethylamino)propyl]-1-(ethylamino)propane-2-sulfonamide
CID 106017341
1-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]propane-2-sulfonamide
CID 106055954
1-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylmethanesulfonamide
CID 103188946
1-(ethylamino)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)propane-2-sulfonamide
CID 79487473
N-[1-(dimethylamino)-4-methylpentan-2-yl]-1-(propylamino)propane-2-sulfonamide
CID 106010670
2-N-ethyl-1-N,1-N-dimethyl-2-N-[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]propane-1,2-diamine
CID 103192352
3-[[1-(dimethylamino)propan-2-yl-ethylsulfamoyl]-methylamino]propan-1-ol
CID 103192205
methyl 4-[1-(dimethylamino)propan-2-yl-ethylsulfamoyl]butanoate
CID 103187968
4-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-fluorobenzenesulfonamide
CID 103190530

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)propan-2-yl]-N-ethyl-1-(ethylamino)propane-2-sulfonamide?
The IUPAC name of N-[1-(dimethylamino)propan-2-yl]-N-ethyl-1-(ethylamino)propane-2-sulfonamide (CID 103192324) is N-[1-(dimethylamino)propan-2-yl]-N-ethyl-1-(ethylamino)propane-2-sulfonamide.
What is the SMILES notation for N-[1-(dimethylamino)propan-2-yl]-N-ethyl-1-(ethylamino)propane-2-sulfonamide?
The canonical SMILES for N-[1-(dimethylamino)propan-2-yl]-N-ethyl-1-(ethylamino)propane-2-sulfonamide is CCNCC(C)S(=O)(=O)N(CC)C(C)CN(C)C.
What is the InChIKey of N-[1-(dimethylamino)propan-2-yl]-N-ethyl-1-(ethylamino)propane-2-sulfonamide?
The InChIKey is DKWXPXWEPRXYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3O2S/c1-7-13-9-12(4)18(16,17)15(8-2)11(3)10-14(5)6/h11-13H,7-10H2,1-6H3.
What are the key properties of N-[1-(dimethylamino)propan-2-yl]-N-ethyl-1-(ethylamino)propane-2-sulfonamide?
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-1-(ethylamino)propane-2-sulfonamide has a molecular weight of 279.45 g/mol, XLogP of 0.59, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)propan-2-yl]-N-ethyl-1-(ethylamino)propane-2-sulfonamide is sourced from PubChem (CID 103192324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).