N-[3-(diethylamino)propyl]-N-ethylpropane-1-sulfonamide

C12H28N2O2S — CID 102998334

IUPACN-[3-(diethylamino)propyl]-N-ethylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(CC)CCCN(CC)CC
InChIInChI=1S/C12H28N2O2S/c1-5-12-17(15,16)14(8-4)11-9-10-13(6-2)7-3/h5-12H2,1-4H3
InChIKeyIHQUIRLESNVEEV-UHFFFAOYSA-N
MW264.43 g/mol
LogP1.78
Rot. Bonds10

About N-[3-(diethylamino)propyl]-N-ethylpropane-1-sulfonamide

N-[3-(diethylamino)propyl]-N-ethylpropane-1-sulfonamide (PubChem CID 102998334) has the molecular formula C12H28N2O2S and a molecular weight of 264.43 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-N-ethylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-N-ethylpropane-1-sulfonamide
PubChem CID102998334
Molecular FormulaC12H28N2O2S
Molecular Weight264.43 g/mol
Exact Mass264.19
IUPAC NameN-[3-(diethylamino)propyl]-N-ethylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(CC)CCCN(CC)CC
InChIInChI=1S/C12H28N2O2S/c1-5-12-17(15,16)14(8-4)11-9-10-13(6-2)7-3/h5-12H2,1-4H3
InChIKeyIHQUIRLESNVEEV-UHFFFAOYSA-N
XLogP1.78
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.43
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(diethylamino)propyl]-N-ethyl-4-hydroxybutane-1-sulfonamide
CID 102998518
N-(2-bromoethyl)-N-ethylpropane-1-sulfonamide
CID 80675973
N-ethyl-N-octyloctane-1-sulfonamide
CID 176689597
2-[ethyl(propylsulfonyl)amino]acetic acid
CID 61011722
3-[butyl(ethyl)sulfamoyl]propanoic acid
CID 28773925
3-amino-N-ethyl-N-propylpropane-1-sulfonamide
CID 60910344
3-[ethyl(2-propylsulfonylethyl)amino]propan-1-ol
CID 103714098
1-bromo-N-[3-(dimethylamino)propyl]-N-ethylmethanesulfonamide
CID 102995887
N-[3-(dimethylamino)propyl]-N-ethyl-3-(propylamino)propane-1-sulfonamide
CID 102998606
2-[ethyl(propylsulfonyl)amino]-N,N-dimethylacetamide
CID 61383856
N-[3-(dimethylamino)propyl]-N-ethyl-3-(methylamino)propane-1-sulfonamide
CID 102998608
3-[3-(diethylamino)propyl-methylsulfonylamino]propanoic acid
CID 82326345

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-N-ethylpropane-1-sulfonamide?
The IUPAC name of N-[3-(diethylamino)propyl]-N-ethylpropane-1-sulfonamide (CID 102998334) is N-[3-(diethylamino)propyl]-N-ethylpropane-1-sulfonamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-N-ethylpropane-1-sulfonamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-N-ethylpropane-1-sulfonamide is CCCS(=O)(=O)N(CC)CCCN(CC)CC.
What is the InChIKey of N-[3-(diethylamino)propyl]-N-ethylpropane-1-sulfonamide?
The InChIKey is IHQUIRLESNVEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2S/c1-5-12-17(15,16)14(8-4)11-9-10-13(6-2)7-3/h5-12H2,1-4H3.
What are the key properties of N-[3-(diethylamino)propyl]-N-ethylpropane-1-sulfonamide?
N-[3-(diethylamino)propyl]-N-ethylpropane-1-sulfonamide has a molecular weight of 264.43 g/mol, XLogP of 1.78, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-N-ethylpropane-1-sulfonamide is sourced from PubChem (CID 102998334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).