(1E)-N-chlorosulfonylpiperidine-1-carboximidoyl chloride

C6H10Cl2N2O2S — CID 55280519

IUPAC(1E)-N-chlorosulfonylpiperidine-1-carboximidoyl chloride
SMILESO=S(=O)(Cl)/N=C(/Cl)N1CCCCC1
InChIInChI=1S/C6H10Cl2N2O2S/c7-6(9-13(8,11)12)10-4-2-1-3-5-10/h1-5H2/b9-6-
InChIKeyANEJBYHVXNWQAF-TWGQIWQCSA-N
MW245.13 g/mol
LogP1.55
Rot. Bonds1

About (1E)-N-chlorosulfonylpiperidine-1-carboximidoyl chloride

(1E)-N-chlorosulfonylpiperidine-1-carboximidoyl chloride (PubChem CID 55280519) has the molecular formula C6H10Cl2N2O2S and a molecular weight of 245.13 g/mol. Its IUPAC name is (1E)-N-chlorosulfonylpiperidine-1-carboximidoyl chloride.

Molecular Properties

Compound Name(1E)-N-chlorosulfonylpiperidine-1-carboximidoyl chloride
PubChem CID55280519
Molecular FormulaC6H10Cl2N2O2S
Molecular Weight245.13 g/mol
Exact Mass243.98
IUPAC Name(1E)-N-chlorosulfonylpiperidine-1-carboximidoyl chloride
SMILESO=S(=O)(Cl)/N=C(/Cl)N1CCCCC1
InChIInChI=1S/C6H10Cl2N2O2S/c7-6(9-13(8,11)12)10-4-2-1-3-5-10/h1-5H2/b9-6-
InChIKeyANEJBYHVXNWQAF-TWGQIWQCSA-N
XLogP1.55
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.13
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E)-N-chlorosulfonylpiperidine-1-carboximidoyl chloride?
The IUPAC name of (1E)-N-chlorosulfonylpiperidine-1-carboximidoyl chloride (CID 55280519) is (1E)-N-chlorosulfonylpiperidine-1-carboximidoyl chloride.
What is the SMILES notation for (1E)-N-chlorosulfonylpiperidine-1-carboximidoyl chloride?
The canonical SMILES for (1E)-N-chlorosulfonylpiperidine-1-carboximidoyl chloride is O=S(=O)(Cl)/N=C(/Cl)N1CCCCC1.
What is the InChIKey of (1E)-N-chlorosulfonylpiperidine-1-carboximidoyl chloride?
The InChIKey is ANEJBYHVXNWQAF-TWGQIWQCSA-N. The full InChI is InChI=1S/C6H10Cl2N2O2S/c7-6(9-13(8,11)12)10-4-2-1-3-5-10/h1-5H2/b9-6-.
What are the key properties of (1E)-N-chlorosulfonylpiperidine-1-carboximidoyl chloride?
(1E)-N-chlorosulfonylpiperidine-1-carboximidoyl chloride has a molecular weight of 245.13 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N-chlorosulfonylpiperidine-1-carboximidoyl chloride is sourced from PubChem (CID 55280519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).