dimethyl sulfate;N-methylformamide

C4H11NO5S — CID 158782735

IUPACdimethyl sulfate;N-methylformamide
SMILESCNC=O.COS(=O)(=O)OC
InChIInChI=1S/C2H5NO.C2H6O4S/c1-3-2-4;1-5-7(3,4)6-2/h2H,1H3,(H,3,4);1-2H3
InChIKeyIRHCESTUCSVPII-UHFFFAOYSA-N
MW185.20 g/mol
LogP-1.11
Rot. Bonds3

About dimethyl sulfate;N-methylformamide

dimethyl sulfate;N-methylformamide (PubChem CID 158782735) has the molecular formula C4H11NO5S and a molecular weight of 185.20 g/mol. Its IUPAC name is dimethyl sulfate;N-methylformamide.

Molecular Properties

Compound Namedimethyl sulfate;N-methylformamide
PubChem CID158782735
Molecular FormulaC4H11NO5S
Molecular Weight185.20 g/mol
Exact Mass185.04
IUPAC Namedimethyl sulfate;N-methylformamide
SMILESCNC=O.COS(=O)(=O)OC
InChIInChI=1S/C2H5NO.C2H6O4S/c1-3-2-4;1-5-7(3,4)6-2/h2H,1H3,(H,3,4);1-2H3
InChIKeyIRHCESTUCSVPII-UHFFFAOYSA-N
XLogP-1.11
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 5-1.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

CID 86609602
CID 86609602
potassium;dimethyl sulfate;hydroxide
CID 88595452
N-methylformamide;titanium
CID 175536868
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CID 175117492
benzene;dimethyl sulfate
CID 87950048
dimethyl sulfate;hydrazine;hydrate
CID 175123496
dimethyl sulfate;propan-2-one
CID 23134895
dimethyl carbonate;dimethyl sulfate;methane
CID 159747638
dimethyl sulfate;pyrrolidine-1-carbaldehyde
CID 88629483
methyl 3-oxopropyl sulfate
CID 54346494
cyclopropane;N-methylformamide
CID 145062498
cyclobutane;N-methylformamide
CID 144809083

Frequently Asked Questions

What is the IUPAC name of dimethyl sulfate;N-methylformamide?
The IUPAC name of dimethyl sulfate;N-methylformamide (CID 158782735) is dimethyl sulfate;N-methylformamide.
What is the SMILES notation for dimethyl sulfate;N-methylformamide?
The canonical SMILES for dimethyl sulfate;N-methylformamide is CNC=O.COS(=O)(=O)OC.
What is the InChIKey of dimethyl sulfate;N-methylformamide?
The InChIKey is IRHCESTUCSVPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO.C2H6O4S/c1-3-2-4;1-5-7(3,4)6-2/h2H,1H3,(H,3,4);1-2H3.
What are the key properties of dimethyl sulfate;N-methylformamide?
dimethyl sulfate;N-methylformamide has a molecular weight of 185.20 g/mol, XLogP of -1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl sulfate;N-methylformamide is sourced from PubChem (CID 158782735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).