methyl 1-sulfamoylpiperidine-4-carboxylate

C7H14N2O4S — CID 25323924

IUPACmethyl 1-sulfamoylpiperidine-4-carboxylate
SMILESCOC(=O)C1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C7H14N2O4S/c1-13-7(10)6-2-4-9(5-3-6)14(8,11)12/h6H,2-5H2,1H3,(H2,8,11,12)
InChIKeyVYJMPDNQCNOVOI-UHFFFAOYSA-N
MW222.27 g/mol
LogP-0.93
Rot. Bonds2

About methyl 1-sulfamoylpiperidine-4-carboxylate

methyl 1-sulfamoylpiperidine-4-carboxylate (PubChem CID 25323924) has the molecular formula C7H14N2O4S and a molecular weight of 222.27 g/mol. Its IUPAC name is methyl 1-sulfamoylpiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-sulfamoylpiperidine-4-carboxylate
PubChem CID25323924
Molecular FormulaC7H14N2O4S
Molecular Weight222.27 g/mol
Exact Mass222.07
IUPAC Namemethyl 1-sulfamoylpiperidine-4-carboxylate
SMILESCOC(=O)C1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C7H14N2O4S/c1-13-7(10)6-2-4-9(5-3-6)14(8,11)12/h6H,2-5H2,1H3,(H2,8,11,12)
InChIKeyVYJMPDNQCNOVOI-UHFFFAOYSA-N
XLogP-0.93
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 5-0.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-sulfamoylpiperidine-4-carboxylate?
The IUPAC name of methyl 1-sulfamoylpiperidine-4-carboxylate (CID 25323924) is methyl 1-sulfamoylpiperidine-4-carboxylate.
What is the SMILES notation for methyl 1-sulfamoylpiperidine-4-carboxylate?
The canonical SMILES for methyl 1-sulfamoylpiperidine-4-carboxylate is COC(=O)C1CCN(S(N)(=O)=O)CC1.
What is the InChIKey of methyl 1-sulfamoylpiperidine-4-carboxylate?
The InChIKey is VYJMPDNQCNOVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4S/c1-13-7(10)6-2-4-9(5-3-6)14(8,11)12/h6H,2-5H2,1H3,(H2,8,11,12).
What are the key properties of methyl 1-sulfamoylpiperidine-4-carboxylate?
methyl 1-sulfamoylpiperidine-4-carboxylate has a molecular weight of 222.27 g/mol, XLogP of -0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-sulfamoylpiperidine-4-carboxylate is sourced from PubChem (CID 25323924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).