(C-chloro-N-methylsulfonyloxycarbonimidoyl) piperidine-1-carboxylate

C8H13ClN2O5S — CID 154458652

IUPAC(C-chloro-N-methylsulfonyloxycarbonimidoyl) piperidine-1-carboxylate
SMILESCS(=O)(=O)ON=C(Cl)OC(=O)N1CCCCC1
InChIInChI=1S/C8H13ClN2O5S/c1-17(13,14)16-10-7(9)15-8(12)11-5-3-2-4-6-11/h2-6H2,1H3
InChIKeyZDJCNWMFISPTFP-UHFFFAOYSA-N
MW284.72 g/mol
LogP1.09
Rot. Bonds2

About (C-chloro-N-methylsulfonyloxycarbonimidoyl) piperidine-1-carboxylate

(C-chloro-N-methylsulfonyloxycarbonimidoyl) piperidine-1-carboxylate (PubChem CID 154458652) has the molecular formula C8H13ClN2O5S and a molecular weight of 284.72 g/mol. Its IUPAC name is (C-chloro-N-methylsulfonyloxycarbonimidoyl) piperidine-1-carboxylate.

Molecular Properties

Compound Name(C-chloro-N-methylsulfonyloxycarbonimidoyl) piperidine-1-carboxylate
PubChem CID154458652
Molecular FormulaC8H13ClN2O5S
Molecular Weight284.72 g/mol
Exact Mass284.02
IUPAC Name(C-chloro-N-methylsulfonyloxycarbonimidoyl) piperidine-1-carboxylate
SMILESCS(=O)(=O)ON=C(Cl)OC(=O)N1CCCCC1
InChIInChI=1S/C8H13ClN2O5S/c1-17(13,14)16-10-7(9)15-8(12)11-5-3-2-4-6-11/h2-6H2,1H3
InChIKeyZDJCNWMFISPTFP-UHFFFAOYSA-N
XLogP1.09
TPSA85.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.72
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

chlorosulfonyl pyrrolidine-1-carboxylate
CID 156663996
carboxy piperidine-1-carboxylate
CID 154126035
propanoyl piperidine-1-carboxylate
CID 142786690
(2,2,2-trifluoroacetyl) piperidine-1-carboxylate
CID 87291791
piperidine-1-carboperoxoic acid
CID 18434275
ethyl azacycloundecane-1-carboxylate
CID 67670496
(NZ)-N-(1-piperidin-1-ylethylidene)sulfamoyl chloride
CID 55279216
(4-methylsulfonylpiperazin-1-yl)-piperidin-1-ylmethanone
CID 113220293
pyrrolidine-1-carbonyl piperazine-1-carboxylate
CID 169258310
tert-butyl azacyclopentadecane-1-carboxylate
CID 11771344
(NZ)-N-(1-piperidin-1-ylethylidene)methanesulfonamide
CID 142943744
azane;tert-butyl piperidine-1-carboxylate
CID 134583959

Frequently Asked Questions

What is the IUPAC name of (C-chloro-N-methylsulfonyloxycarbonimidoyl) piperidine-1-carboxylate?
The IUPAC name of (C-chloro-N-methylsulfonyloxycarbonimidoyl) piperidine-1-carboxylate (CID 154458652) is (C-chloro-N-methylsulfonyloxycarbonimidoyl) piperidine-1-carboxylate.
What is the SMILES notation for (C-chloro-N-methylsulfonyloxycarbonimidoyl) piperidine-1-carboxylate?
The canonical SMILES for (C-chloro-N-methylsulfonyloxycarbonimidoyl) piperidine-1-carboxylate is CS(=O)(=O)ON=C(Cl)OC(=O)N1CCCCC1.
What is the InChIKey of (C-chloro-N-methylsulfonyloxycarbonimidoyl) piperidine-1-carboxylate?
The InChIKey is ZDJCNWMFISPTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2O5S/c1-17(13,14)16-10-7(9)15-8(12)11-5-3-2-4-6-11/h2-6H2,1H3.
What are the key properties of (C-chloro-N-methylsulfonyloxycarbonimidoyl) piperidine-1-carboxylate?
(C-chloro-N-methylsulfonyloxycarbonimidoyl) piperidine-1-carboxylate has a molecular weight of 284.72 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (C-chloro-N-methylsulfonyloxycarbonimidoyl) piperidine-1-carboxylate is sourced from PubChem (CID 154458652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).