N-ethyl-2-methoxyethanesulfonamide;N-ethyloxane-4-sulfonamide

C12H28N2O6S2 — CID 167597024

IUPACN-ethyl-2-methoxyethanesulfonamide;N-ethyloxane-4-sulfonamide
SMILESCCNS(=O)(=O)C1CCOCC1.CCNS(=O)(=O)CCOC
InChIInChI=1S/C7H15NO3S.C5H13NO3S/c1-2-8-12(9,10)7-3-5-11-6-4-7;1-3-6-10(7,8)5-4-9-2/h7-8H,2-6H2,1H3;6H,3-5H2,1-2H3
InChIKeyJFAWLKYDJZYZGQ-UHFFFAOYSA-N
MW360.50 g/mol
LogP-0.32
Rot. Bonds8

About N-ethyl-2-methoxyethanesulfonamide;N-ethyloxane-4-sulfonamide

N-ethyl-2-methoxyethanesulfonamide;N-ethyloxane-4-sulfonamide (PubChem CID 167597024) has the molecular formula C12H28N2O6S2 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-ethyl-2-methoxyethanesulfonamide;N-ethyloxane-4-sulfonamide.

Molecular Properties

Compound NameN-ethyl-2-methoxyethanesulfonamide;N-ethyloxane-4-sulfonamide
PubChem CID167597024
Molecular FormulaC12H28N2O6S2
Molecular Weight360.50 g/mol
Exact Mass360.14
IUPAC NameN-ethyl-2-methoxyethanesulfonamide;N-ethyloxane-4-sulfonamide
SMILESCCNS(=O)(=O)C1CCOCC1.CCNS(=O)(=O)CCOC
InChIInChI=1S/C7H15NO3S.C5H13NO3S/c1-2-8-12(9,10)7-3-5-11-6-4-7;1-3-6-10(7,8)5-4-9-2/h7-8H,2-6H2,1H3;6H,3-5H2,1-2H3
InChIKeyJFAWLKYDJZYZGQ-UHFFFAOYSA-N
XLogP-0.32
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxyethanesulfonamide;N-ethyloxane-4-sulfonamide?
The IUPAC name of N-ethyl-2-methoxyethanesulfonamide;N-ethyloxane-4-sulfonamide (CID 167597024) is N-ethyl-2-methoxyethanesulfonamide;N-ethyloxane-4-sulfonamide.
What is the SMILES notation for N-ethyl-2-methoxyethanesulfonamide;N-ethyloxane-4-sulfonamide?
The canonical SMILES for N-ethyl-2-methoxyethanesulfonamide;N-ethyloxane-4-sulfonamide is CCNS(=O)(=O)C1CCOCC1.CCNS(=O)(=O)CCOC.
What is the InChIKey of N-ethyl-2-methoxyethanesulfonamide;N-ethyloxane-4-sulfonamide?
The InChIKey is JFAWLKYDJZYZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S.C5H13NO3S/c1-2-8-12(9,10)7-3-5-11-6-4-7;1-3-6-10(7,8)5-4-9-2/h7-8H,2-6H2,1H3;6H,3-5H2,1-2H3.
What are the key properties of N-ethyl-2-methoxyethanesulfonamide;N-ethyloxane-4-sulfonamide?
N-ethyl-2-methoxyethanesulfonamide;N-ethyloxane-4-sulfonamide has a molecular weight of 360.50 g/mol, XLogP of -0.32, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methoxyethanesulfonamide;N-ethyloxane-4-sulfonamide is sourced from PubChem (CID 167597024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).