2-[methoxysulfinyl(methyl)amino]ethyl acetate;methyl acetate

C9H19NO6S — CID 54258807

IUPAC2-[methoxysulfinyl(methyl)amino]ethyl acetate;methyl acetate
SMILESCOC(C)=O.COS(=O)N(C)CCOC(C)=O
InChIInChI=1S/C6H13NO4S.C3H6O2/c1-6(8)11-5-4-7(2)12(9)10-3;1-3(4)5-2/h4-5H2,1-3H3;1-2H3
InChIKeyRBZUSAIHWKJANQ-UHFFFAOYSA-N
MW269.32 g/mol
LogP-0.11
Rot. Bonds5

About 2-[methoxysulfinyl(methyl)amino]ethyl acetate;methyl acetate

2-[methoxysulfinyl(methyl)amino]ethyl acetate;methyl acetate (PubChem CID 54258807) has the molecular formula C9H19NO6S and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-[methoxysulfinyl(methyl)amino]ethyl acetate;methyl acetate.

Molecular Properties

Compound Name2-[methoxysulfinyl(methyl)amino]ethyl acetate;methyl acetate
PubChem CID54258807
Molecular FormulaC9H19NO6S
Molecular Weight269.32 g/mol
Exact Mass269.09
IUPAC Name2-[methoxysulfinyl(methyl)amino]ethyl acetate;methyl acetate
SMILESCOC(C)=O.COS(=O)N(C)CCOC(C)=O
InChIInChI=1S/C6H13NO4S.C3H6O2/c1-6(8)11-5-4-7(2)12(9)10-3;1-3(4)5-2/h4-5H2,1-3H3;1-2H3
InChIKeyRBZUSAIHWKJANQ-UHFFFAOYSA-N
XLogP-0.11
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-acetyloxyethyl-[3-[bis(2-acetyloxyethyl)amino]propyl]amino]ethyl acetate
CID 57261073
ethane;2-[methyl(propyl)amino]ethyl acetate
CID 143043646
2-(dimethylamino)ethyl acetate;2-(dimethylamino)-N-methylacetamide
CID 158740305
methyl acetate;ruthenium
CID 160799101
2-[2-acetyloxyethyl(methyl)amino]ethyl 2-methylprop-2-enoate
CID 88902342
2-[2-acetyloxyethyl(methyl)amino]ethyl propanoate;ethane
CID 142272476
2-[butanoyl(methyl)amino]ethyl acetate
CID 153197952
2-[methyl(2-methylpropoxycarbonyl)amino]ethyl acetate
CID 165163871
methyl acetate;titanium
CID 87665287
argon;methyl acetate
CID 169424774
bismuthane;methyl acetate
CID 174537209
copper;methyl acetate
CID 174340034

Frequently Asked Questions

What is the IUPAC name of 2-[methoxysulfinyl(methyl)amino]ethyl acetate;methyl acetate?
The IUPAC name of 2-[methoxysulfinyl(methyl)amino]ethyl acetate;methyl acetate (CID 54258807) is 2-[methoxysulfinyl(methyl)amino]ethyl acetate;methyl acetate.
What is the SMILES notation for 2-[methoxysulfinyl(methyl)amino]ethyl acetate;methyl acetate?
The canonical SMILES for 2-[methoxysulfinyl(methyl)amino]ethyl acetate;methyl acetate is COC(C)=O.COS(=O)N(C)CCOC(C)=O.
What is the InChIKey of 2-[methoxysulfinyl(methyl)amino]ethyl acetate;methyl acetate?
The InChIKey is RBZUSAIHWKJANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4S.C3H6O2/c1-6(8)11-5-4-7(2)12(9)10-3;1-3(4)5-2/h4-5H2,1-3H3;1-2H3.
What are the key properties of 2-[methoxysulfinyl(methyl)amino]ethyl acetate;methyl acetate?
2-[methoxysulfinyl(methyl)amino]ethyl acetate;methyl acetate has a molecular weight of 269.32 g/mol, XLogP of -0.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methoxysulfinyl(methyl)amino]ethyl acetate;methyl acetate is sourced from PubChem (CID 54258807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).