ethyl 4-chlorosulfonylpiperidine-1-carboxylate

C8H14ClNO4S — CID 54592751

IUPACethyl 4-chlorosulfonylpiperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(S(=O)(=O)Cl)CC1
InChIInChI=1S/C8H14ClNO4S/c1-2-14-8(11)10-5-3-7(4-6-10)15(9,12)13/h7H,2-6H2,1H3
InChIKeyKCXLEPXXDQVBTA-UHFFFAOYSA-N
MW255.72 g/mol
LogP1.18
Rot. Bonds2

About ethyl 4-chlorosulfonylpiperidine-1-carboxylate

ethyl 4-chlorosulfonylpiperidine-1-carboxylate (PubChem CID 54592751) has the molecular formula C8H14ClNO4S and a molecular weight of 255.72 g/mol. Its IUPAC name is ethyl 4-chlorosulfonylpiperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-chlorosulfonylpiperidine-1-carboxylate
PubChem CID54592751
Molecular FormulaC8H14ClNO4S
Molecular Weight255.72 g/mol
Exact Mass255.03
IUPAC Nameethyl 4-chlorosulfonylpiperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(S(=O)(=O)Cl)CC1
InChIInChI=1S/C8H14ClNO4S/c1-2-14-8(11)10-5-3-7(4-6-10)15(9,12)13/h7H,2-6H2,1H3
InChIKeyKCXLEPXXDQVBTA-UHFFFAOYSA-N
XLogP1.18
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.72
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-chlorosulfonylpiperidine-1-carboxylate?
The IUPAC name of ethyl 4-chlorosulfonylpiperidine-1-carboxylate (CID 54592751) is ethyl 4-chlorosulfonylpiperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-chlorosulfonylpiperidine-1-carboxylate?
The canonical SMILES for ethyl 4-chlorosulfonylpiperidine-1-carboxylate is CCOC(=O)N1CCC(S(=O)(=O)Cl)CC1.
What is the InChIKey of ethyl 4-chlorosulfonylpiperidine-1-carboxylate?
The InChIKey is KCXLEPXXDQVBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNO4S/c1-2-14-8(11)10-5-3-7(4-6-10)15(9,12)13/h7H,2-6H2,1H3.
What are the key properties of ethyl 4-chlorosulfonylpiperidine-1-carboxylate?
ethyl 4-chlorosulfonylpiperidine-1-carboxylate has a molecular weight of 255.72 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chlorosulfonylpiperidine-1-carboxylate is sourced from PubChem (CID 54592751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).