ethane;N-ethylethanamine;N-methylmethanesulfonamide

C8H24N2O2S — CID 91357171

IUPACethane;N-ethylethanamine;N-methylmethanesulfonamide
SMILESCC.CCNCC.CNS(C)(=O)=O
InChIInChI=1S/C4H11N.C2H7NO2S.C2H6/c1-3-5-4-2;1-3-6(2,4)5;1-2/h5H,3-4H2,1-2H3;3H,1-2H3;1-2H3
InChIKeyHWIFOKBTGBZLGF-UHFFFAOYSA-N
MW212.36 g/mol
LogP0.81
Rot. Bonds3

About ethane;N-ethylethanamine;N-methylmethanesulfonamide

ethane;N-ethylethanamine;N-methylmethanesulfonamide (PubChem CID 91357171) has the molecular formula C8H24N2O2S and a molecular weight of 212.36 g/mol. Its IUPAC name is ethane;N-ethylethanamine;N-methylmethanesulfonamide.

Molecular Properties

Compound Nameethane;N-ethylethanamine;N-methylmethanesulfonamide
PubChem CID91357171
Molecular FormulaC8H24N2O2S
Molecular Weight212.36 g/mol
Exact Mass212.16
IUPAC Nameethane;N-ethylethanamine;N-methylmethanesulfonamide
SMILESCC.CCNCC.CNS(C)(=O)=O
InChIInChI=1S/C4H11N.C2H7NO2S.C2H6/c1-3-5-4-2;1-3-6(2,4)5;1-2/h5H,3-4H2,1-2H3;3H,1-2H3;1-2H3
InChIKeyHWIFOKBTGBZLGF-UHFFFAOYSA-N
XLogP0.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;N-ethylethanamine;N-methylmethanesulfonamide?
The IUPAC name of ethane;N-ethylethanamine;N-methylmethanesulfonamide (CID 91357171) is ethane;N-ethylethanamine;N-methylmethanesulfonamide.
What is the SMILES notation for ethane;N-ethylethanamine;N-methylmethanesulfonamide?
The canonical SMILES for ethane;N-ethylethanamine;N-methylmethanesulfonamide is CC.CCNCC.CNS(C)(=O)=O.
What is the InChIKey of ethane;N-ethylethanamine;N-methylmethanesulfonamide?
The InChIKey is HWIFOKBTGBZLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.C2H7NO2S.C2H6/c1-3-5-4-2;1-3-6(2,4)5;1-2/h5H,3-4H2,1-2H3;3H,1-2H3;1-2H3.
What are the key properties of ethane;N-ethylethanamine;N-methylmethanesulfonamide?
ethane;N-ethylethanamine;N-methylmethanesulfonamide has a molecular weight of 212.36 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethylethanamine;N-methylmethanesulfonamide is sourced from PubChem (CID 91357171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).