N-[3-(dimethylamino)propyl]-N-ethylsulfamoyl chloride

C7H17ClN2O2S — CID 102992224

IUPACN-[3-(dimethylamino)propyl]-N-ethylsulfamoyl chloride
SMILESCCN(CCCN(C)C)S(=O)(=O)Cl
InChIInChI=1S/C7H17ClN2O2S/c1-4-10(13(8,11)12)7-5-6-9(2)3/h4-7H2,1-3H3
InChIKeyRALPGRHEAAUQNZ-UHFFFAOYSA-N
MW228.74 g/mol
LogP0.74
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-N-ethylsulfamoyl chloride

N-[3-(dimethylamino)propyl]-N-ethylsulfamoyl chloride (PubChem CID 102992224) has the molecular formula C7H17ClN2O2S and a molecular weight of 228.74 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-ethylsulfamoyl chloride.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N-ethylsulfamoyl chloride
PubChem CID102992224
Molecular FormulaC7H17ClN2O2S
Molecular Weight228.74 g/mol
Exact Mass228.07
IUPAC NameN-[3-(dimethylamino)propyl]-N-ethylsulfamoyl chloride
SMILESCCN(CCCN(C)C)S(=O)(=O)Cl
InChIInChI=1S/C7H17ClN2O2S/c1-4-10(13(8,11)12)7-5-6-9(2)3/h4-7H2,1-3H3
InChIKeyRALPGRHEAAUQNZ-UHFFFAOYSA-N
XLogP0.74
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.74
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-bromo-N-[3-(dimethylamino)propyl]-N-ethylmethanesulfonamide
CID 102995887
3-[[3-(dimethylamino)propyl-ethylsulfamoyl]-methylamino]propan-1-ol
CID 102998470
2-[3-(dimethylamino)propyl-ethylsulfamoyl]ethanethioamide
CID 102993369
N-[3-(dimethylamino)propyl]-N-ethyl-3-(methylamino)propane-1-sulfonamide
CID 102998608
N-[3-(dimethylamino)propyl]-N-ethyl-5-(hydroxymethyl)furan-2-sulfonamide
CID 102998456
N'-[3-(dimethylamino)propyl-ethylsulfamoyl]-N-ethyl-N'-methylpropane-1,3-diamine
CID 102998612
N-[3-(dimethylamino)propyl]-N-ethyl-3-(propylamino)propane-1-sulfonamide
CID 102998606
4-bromo-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide
CID 102995932
2-(chloromethyl)-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide
CID 102998550
N-[3-(dimethylamino)propyl]-N-ethyl-3-(propan-2-ylamino)propane-1-sulfonamide
CID 102994809
N,N-dimethylbutan-1-amine;methanesulfonic acid
CID 174158325
N-[3-(dimethylamino)propyl]-N-ethyl-4-(methylamino)benzenesulfonamide
CID 102994804

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-ethylsulfamoyl chloride?
The IUPAC name of N-[3-(dimethylamino)propyl]-N-ethylsulfamoyl chloride (CID 102992224) is N-[3-(dimethylamino)propyl]-N-ethylsulfamoyl chloride.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-ethylsulfamoyl chloride?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N-ethylsulfamoyl chloride is CCN(CCCN(C)C)S(=O)(=O)Cl.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N-ethylsulfamoyl chloride?
The InChIKey is RALPGRHEAAUQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17ClN2O2S/c1-4-10(13(8,11)12)7-5-6-9(2)3/h4-7H2,1-3H3.
What are the key properties of N-[3-(dimethylamino)propyl]-N-ethylsulfamoyl chloride?
N-[3-(dimethylamino)propyl]-N-ethylsulfamoyl chloride has a molecular weight of 228.74 g/mol, XLogP of 0.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N-ethylsulfamoyl chloride is sourced from PubChem (CID 102992224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).