N,N-diethylmethanesulfonamide;ethanesulfonamide

C7H20N2O4S2 — CID 158705788

IUPACN,N-diethylmethanesulfonamide;ethanesulfonamide
SMILESCCN(CC)S(C)(=O)=O.CCS(N)(=O)=O
InChIInChI=1S/C5H13NO2S.C2H7NO2S/c1-4-6(5-2)9(3,7)8;1-2-6(3,4)5/h4-5H2,1-3H3;2H2,1H3,(H2,3,4,5)
InChIKeyIICAFTFDCSMLLZ-UHFFFAOYSA-N
MW260.38 g/mol
LogP-0.42
Rot. Bonds4

About N,N-diethylmethanesulfonamide;ethanesulfonamide

N,N-diethylmethanesulfonamide;ethanesulfonamide (PubChem CID 158705788) has the molecular formula C7H20N2O4S2 and a molecular weight of 260.38 g/mol. Its IUPAC name is N,N-diethylmethanesulfonamide;ethanesulfonamide.

Molecular Properties

Compound NameN,N-diethylmethanesulfonamide;ethanesulfonamide
PubChem CID158705788
Molecular FormulaC7H20N2O4S2
Molecular Weight260.38 g/mol
Exact Mass260.09
IUPAC NameN,N-diethylmethanesulfonamide;ethanesulfonamide
SMILESCCN(CC)S(C)(=O)=O.CCS(N)(=O)=O
InChIInChI=1S/C5H13NO2S.C2H7NO2S/c1-4-6(5-2)9(3,7)8;1-2-6(3,4)5/h4-5H2,1-3H3;2H2,1H3,(H2,3,4,5)
InChIKeyIICAFTFDCSMLLZ-UHFFFAOYSA-N
XLogP-0.42
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloroethyl)-N-ethylmethanesulfonamide
CID 63397656
N-ethyl-N-(2-ethylbutyl)methanesulfonamide
CID 60764490
2-[ethyl(methylsulfonyl)amino]-N'-hydroxyethanimidamide
CID 76929222
N-ethyl-N-tetradecylmethanesulfonamide
CID 91715481
methanesulfonamide;propane
CID 158760342
N-ethyl-N-(4-iodobutyl)methanesulfonamide
CID 89182748
3-[ethyl(methylsulfonyl)amino]propanoic acid
CID 39239435
1-[ethyl(sulfamoyl)amino]-2-methylpropane
CID 43273979
N-ethyl-N-(2-propan-2-yloxyethyl)methanesulfonamide
CID 118241668
N-(N,S-dimethylsulfonimidoyl)-N-ethylethanamine
CID 170187971
N-propan-2-ylmethanesulfonohydrazide
CID 18735133
ethanesulfonamide;isocyanic acid
CID 174383144

Frequently Asked Questions

What is the IUPAC name of N,N-diethylmethanesulfonamide;ethanesulfonamide?
The IUPAC name of N,N-diethylmethanesulfonamide;ethanesulfonamide (CID 158705788) is N,N-diethylmethanesulfonamide;ethanesulfonamide.
What is the SMILES notation for N,N-diethylmethanesulfonamide;ethanesulfonamide?
The canonical SMILES for N,N-diethylmethanesulfonamide;ethanesulfonamide is CCN(CC)S(C)(=O)=O.CCS(N)(=O)=O.
What is the InChIKey of N,N-diethylmethanesulfonamide;ethanesulfonamide?
The InChIKey is IICAFTFDCSMLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2S.C2H7NO2S/c1-4-6(5-2)9(3,7)8;1-2-6(3,4)5/h4-5H2,1-3H3;2H2,1H3,(H2,3,4,5).
What are the key properties of N,N-diethylmethanesulfonamide;ethanesulfonamide?
N,N-diethylmethanesulfonamide;ethanesulfonamide has a molecular weight of 260.38 g/mol, XLogP of -0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylmethanesulfonamide;ethanesulfonamide is sourced from PubChem (CID 158705788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).