methyl 2-[methyl(methylsulfonyl)amino]ethyl sulfite

C5H13NO5S2 — CID 20769890

IUPACmethyl 2-[methyl(methylsulfonyl)amino]ethyl sulfite
SMILESCOS(=O)OCCN(C)S(C)(=O)=O
InChIInChI=1S/C5H13NO5S2/c1-6(13(3,8)9)4-5-11-12(7)10-2/h4-5H2,1-3H3
InChIKeyCGFJJPCEICQNIT-UHFFFAOYSA-N
MW231.29 g/mol
LogP-0.88
Rot. Bonds6

About methyl 2-[methyl(methylsulfonyl)amino]ethyl sulfite

methyl 2-[methyl(methylsulfonyl)amino]ethyl sulfite (PubChem CID 20769890) has the molecular formula C5H13NO5S2 and a molecular weight of 231.29 g/mol. Its IUPAC name is methyl 2-[methyl(methylsulfonyl)amino]ethyl sulfite.

Molecular Properties

Compound Namemethyl 2-[methyl(methylsulfonyl)amino]ethyl sulfite
PubChem CID20769890
Molecular FormulaC5H13NO5S2
Molecular Weight231.29 g/mol
Exact Mass231.02
IUPAC Namemethyl 2-[methyl(methylsulfonyl)amino]ethyl sulfite
SMILESCOS(=O)OCCN(C)S(C)(=O)=O
InChIInChI=1S/C5H13NO5S2/c1-6(13(3,8)9)4-5-11-12(7)10-2/h4-5H2,1-3H3
InChIKeyCGFJJPCEICQNIT-UHFFFAOYSA-N
XLogP-0.88
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 5-0.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl(methylsulfonyl)amino]ethyl sulfite?
The IUPAC name of methyl 2-[methyl(methylsulfonyl)amino]ethyl sulfite (CID 20769890) is methyl 2-[methyl(methylsulfonyl)amino]ethyl sulfite.
What is the SMILES notation for methyl 2-[methyl(methylsulfonyl)amino]ethyl sulfite?
The canonical SMILES for methyl 2-[methyl(methylsulfonyl)amino]ethyl sulfite is COS(=O)OCCN(C)S(C)(=O)=O.
What is the InChIKey of methyl 2-[methyl(methylsulfonyl)amino]ethyl sulfite?
The InChIKey is CGFJJPCEICQNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO5S2/c1-6(13(3,8)9)4-5-11-12(7)10-2/h4-5H2,1-3H3.
What are the key properties of methyl 2-[methyl(methylsulfonyl)amino]ethyl sulfite?
methyl 2-[methyl(methylsulfonyl)amino]ethyl sulfite has a molecular weight of 231.29 g/mol, XLogP of -0.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl(methylsulfonyl)amino]ethyl sulfite is sourced from PubChem (CID 20769890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).