ethyl 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylate

C11H15ClN2O4S2 — CID 43648325

IUPACethyl 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C11H15ClN2O4S2/c1-2-18-10(15)8-5-3-4-6-14(8)20(16,17)9-7-13-11(12)19-9/h7-8H,2-6H2,1H3
InChIKeyFAMLWOCNSQCRPZ-UHFFFAOYSA-N
MW338.84 g/mol
LogP1.90
Rot. Bonds4

About ethyl 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylate

ethyl 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylate (PubChem CID 43648325) has the molecular formula C11H15ClN2O4S2 and a molecular weight of 338.84 g/mol. Its IUPAC name is ethyl 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylate
PubChem CID43648325
Molecular FormulaC11H15ClN2O4S2
Molecular Weight338.84 g/mol
Exact Mass338.02
IUPAC Nameethyl 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C11H15ClN2O4S2/c1-2-18-10(15)8-5-3-4-6-14(8)20(16,17)9-7-13-11(12)19-9/h7-8H,2-6H2,1H3
InChIKeyFAMLWOCNSQCRPZ-UHFFFAOYSA-N
XLogP1.90
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylate?
The IUPAC name of ethyl 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylate (CID 43648325) is ethyl 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylate is CCOC(=O)C1CCCCN1S(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of ethyl 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylate?
The InChIKey is FAMLWOCNSQCRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O4S2/c1-2-18-10(15)8-5-3-4-6-14(8)20(16,17)9-7-13-11(12)19-9/h7-8H,2-6H2,1H3.
What are the key properties of ethyl 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylate?
ethyl 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylate has a molecular weight of 338.84 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylate is sourced from PubChem (CID 43648325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).