dimethyl sulfate;piperidine

C7H17NO4S — CID 87846223

IUPACdimethyl sulfate;piperidine
SMILESC1CCNCC1.COS(=O)(=O)OC
InChIInChI=1S/C5H11N.C2H6O4S/c1-2-4-6-5-3-1;1-5-7(3,4)6-2/h6H,1-5H2;1-2H3
InChIKeySGNOZPCQKMOYKE-UHFFFAOYSA-N
MW211.28 g/mol
LogP0.28
Rot. Bonds2

About dimethyl sulfate;piperidine

dimethyl sulfate;piperidine (PubChem CID 87846223) has the molecular formula C7H17NO4S and a molecular weight of 211.28 g/mol. Its IUPAC name is dimethyl sulfate;piperidine.

Molecular Properties

Compound Namedimethyl sulfate;piperidine
PubChem CID87846223
Molecular FormulaC7H17NO4S
Molecular Weight211.28 g/mol
Exact Mass211.09
IUPAC Namedimethyl sulfate;piperidine
SMILESC1CCNCC1.COS(=O)(=O)OC
InChIInChI=1S/C5H11N.C2H6O4S/c1-2-4-6-5-3-1;1-5-7(3,4)6-2/h6H,1-5H2;1-2H3
InChIKeySGNOZPCQKMOYKE-UHFFFAOYSA-N
XLogP0.28
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dimethyl sulfate;piperidine?
The IUPAC name of dimethyl sulfate;piperidine (CID 87846223) is dimethyl sulfate;piperidine.
What is the SMILES notation for dimethyl sulfate;piperidine?
The canonical SMILES for dimethyl sulfate;piperidine is C1CCNCC1.COS(=O)(=O)OC.
What is the InChIKey of dimethyl sulfate;piperidine?
The InChIKey is SGNOZPCQKMOYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C2H6O4S/c1-2-4-6-5-3-1;1-5-7(3,4)6-2/h6H,1-5H2;1-2H3.
What are the key properties of dimethyl sulfate;piperidine?
dimethyl sulfate;piperidine has a molecular weight of 211.28 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl sulfate;piperidine is sourced from PubChem (CID 87846223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).