1,1-dimethoxyethane;N,N-dimethylformamide;methylsulfinylmethane

C9H23NO4S — CID 87286102

IUPAC1,1-dimethoxyethane;N,N-dimethylformamide;methylsulfinylmethane
SMILESCN(C)C=O.COC(C)OC.CS(C)=O
InChIInChI=1S/C4H10O2.C3H7NO.C2H6OS/c1-4(5-2)6-3;1-4(2)3-5;1-4(2)3/h4H,1-3H3;3H,1-2H3;1-2H3
InChIKeyHVNMYWNMRJOJRL-UHFFFAOYSA-N
MW241.35 g/mol
LogP0.32
Rot. Bonds3

About 1,1-dimethoxyethane;N,N-dimethylformamide;methylsulfinylmethane

1,1-dimethoxyethane;N,N-dimethylformamide;methylsulfinylmethane (PubChem CID 87286102) has the molecular formula C9H23NO4S and a molecular weight of 241.35 g/mol. Its IUPAC name is 1,1-dimethoxyethane;N,N-dimethylformamide;methylsulfinylmethane.

Molecular Properties

Compound Name1,1-dimethoxyethane;N,N-dimethylformamide;methylsulfinylmethane
PubChem CID87286102
Molecular FormulaC9H23NO4S
Molecular Weight241.35 g/mol
Exact Mass241.13
IUPAC Name1,1-dimethoxyethane;N,N-dimethylformamide;methylsulfinylmethane
SMILESCN(C)C=O.COC(C)OC.CS(C)=O
InChIInChI=1S/C4H10O2.C3H7NO.C2H6OS/c1-4(5-2)6-3;1-4(2)3-5;1-4(2)3/h4H,1-3H3;3H,1-2H3;1-2H3
InChIKeyHVNMYWNMRJOJRL-UHFFFAOYSA-N
XLogP0.32
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.35
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxyethane;N,N-dimethylformamide;methylsulfinylmethane?
The IUPAC name of 1,1-dimethoxyethane;N,N-dimethylformamide;methylsulfinylmethane (CID 87286102) is 1,1-dimethoxyethane;N,N-dimethylformamide;methylsulfinylmethane.
What is the SMILES notation for 1,1-dimethoxyethane;N,N-dimethylformamide;methylsulfinylmethane?
The canonical SMILES for 1,1-dimethoxyethane;N,N-dimethylformamide;methylsulfinylmethane is CN(C)C=O.COC(C)OC.CS(C)=O.
What is the InChIKey of 1,1-dimethoxyethane;N,N-dimethylformamide;methylsulfinylmethane?
The InChIKey is HVNMYWNMRJOJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2.C3H7NO.C2H6OS/c1-4(5-2)6-3;1-4(2)3-5;1-4(2)3/h4H,1-3H3;3H,1-2H3;1-2H3.
What are the key properties of 1,1-dimethoxyethane;N,N-dimethylformamide;methylsulfinylmethane?
1,1-dimethoxyethane;N,N-dimethylformamide;methylsulfinylmethane has a molecular weight of 241.35 g/mol, XLogP of 0.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxyethane;N,N-dimethylformamide;methylsulfinylmethane is sourced from PubChem (CID 87286102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).