ethyl 4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]piperidine-1-carboxylate

C11H16ClN3O4S2 — CID 43455894

IUPACethyl 4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NS(=O)(=O)c2cnc(Cl)s2)CC1
InChIInChI=1S/C11H16ClN3O4S2/c1-2-19-11(16)15-5-3-8(4-6-15)14-21(17,18)9-7-13-10(12)20-9/h7-8,14H,2-6H2,1H3
InChIKeyZDHLJCCYKMYTHO-UHFFFAOYSA-N
MW353.85 g/mol
LogP1.70
Rot. Bonds4

About ethyl 4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]piperidine-1-carboxylate

ethyl 4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]piperidine-1-carboxylate (PubChem CID 43455894) has the molecular formula C11H16ClN3O4S2 and a molecular weight of 353.85 g/mol. Its IUPAC name is ethyl 4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]piperidine-1-carboxylate
PubChem CID43455894
Molecular FormulaC11H16ClN3O4S2
Molecular Weight353.85 g/mol
Exact Mass353.03
IUPAC Nameethyl 4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NS(=O)(=O)c2cnc(Cl)s2)CC1
InChIInChI=1S/C11H16ClN3O4S2/c1-2-19-11(16)15-5-3-8(4-6-15)14-21(17,18)9-7-13-10(12)20-9/h7-8,14H,2-6H2,1H3
InChIKeyZDHLJCCYKMYTHO-UHFFFAOYSA-N
XLogP1.70
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]piperidine-1-carboxylate (CID 43455894) is ethyl 4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NS(=O)(=O)c2cnc(Cl)s2)CC1.
What is the InChIKey of ethyl 4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]piperidine-1-carboxylate?
The InChIKey is ZDHLJCCYKMYTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O4S2/c1-2-19-11(16)15-5-3-8(4-6-15)14-21(17,18)9-7-13-10(12)20-9/h7-8,14H,2-6H2,1H3.
What are the key properties of ethyl 4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]piperidine-1-carboxylate?
ethyl 4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]piperidine-1-carboxylate has a molecular weight of 353.85 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]piperidine-1-carboxylate is sourced from PubChem (CID 43455894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).