ethyl 1-[2-(1,1-dioxothiazinan-2-yl)acetyl]piperidine-4-carboxylate

C14H24N2O5S — CID 110687694

IUPACethyl 1-[2-(1,1-dioxothiazinan-2-yl)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CN2CCCCS2(=O)=O)CC1
InChIInChI=1S/C14H24N2O5S/c1-2-21-14(18)12-5-8-15(9-6-12)13(17)11-16-7-3-4-10-22(16,19)20/h12H,2-11H2,1H3
InChIKeyIHZTWJDWKOMBTI-UHFFFAOYSA-N
MW332.42 g/mol
LogP0.21
Rot. Bonds4

About ethyl 1-[2-(1,1-dioxothiazinan-2-yl)acetyl]piperidine-4-carboxylate

ethyl 1-[2-(1,1-dioxothiazinan-2-yl)acetyl]piperidine-4-carboxylate (PubChem CID 110687694) has the molecular formula C14H24N2O5S and a molecular weight of 332.42 g/mol. Its IUPAC name is ethyl 1-[2-(1,1-dioxothiazinan-2-yl)acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(1,1-dioxothiazinan-2-yl)acetyl]piperidine-4-carboxylate
PubChem CID110687694
Molecular FormulaC14H24N2O5S
Molecular Weight332.42 g/mol
Exact Mass332.14
IUPAC Nameethyl 1-[2-(1,1-dioxothiazinan-2-yl)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CN2CCCCS2(=O)=O)CC1
InChIInChI=1S/C14H24N2O5S/c1-2-21-14(18)12-5-8-15(9-6-12)13(17)11-16-7-3-4-10-22(16,19)20/h12H,2-11H2,1H3
InChIKeyIHZTWJDWKOMBTI-UHFFFAOYSA-N
XLogP0.21
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[2-(4-aminopiperidin-1-yl)acetyl]piperidine-4-carboxylate
CID 79322433
ethyl 1-(2-morpholin-4-ylacetyl)piperidine-4-carboxylate
CID 54814212
ethyl 1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-4-carboxylate
CID 86982347
4-ethoxycarbonylpiperidine-1-carboxylic acid
CID 21189657
ethyl 1-[2-(methylamino)acetyl]piperidine-4-carboxylate
CID 43086020
ethyl 1-(4-aminobutanoyl)piperidine-4-carboxylate
CID 22692245
ethyl 1-[3-(dimethylamino)propanoyl]piperidine-4-carboxylate
CID 170985512
ethyl 1-(3-methoxypropanoyl)piperidine-4-carboxylate
CID 62590796
ethyl 1-(3-amino-3-methylbutanoyl)piperidine-4-carboxylate
CID 64685754
ethyl 1-methylpiperidine-4-carboxylate;hydrochloride
CID 52991957
ethyl 1-(4-chlorobutanoyl)piperidine-4-carboxylate
CID 60723356
ethyl 1-[2-(cyclopropylamino)acetyl]piperidine-4-carboxylate
CID 54917942

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(1,1-dioxothiazinan-2-yl)acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(1,1-dioxothiazinan-2-yl)acetyl]piperidine-4-carboxylate (CID 110687694) is ethyl 1-[2-(1,1-dioxothiazinan-2-yl)acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(1,1-dioxothiazinan-2-yl)acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(1,1-dioxothiazinan-2-yl)acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CN2CCCCS2(=O)=O)CC1.
What is the InChIKey of ethyl 1-[2-(1,1-dioxothiazinan-2-yl)acetyl]piperidine-4-carboxylate?
The InChIKey is IHZTWJDWKOMBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5S/c1-2-21-14(18)12-5-8-15(9-6-12)13(17)11-16-7-3-4-10-22(16,19)20/h12H,2-11H2,1H3.
What are the key properties of ethyl 1-[2-(1,1-dioxothiazinan-2-yl)acetyl]piperidine-4-carboxylate?
ethyl 1-[2-(1,1-dioxothiazinan-2-yl)acetyl]piperidine-4-carboxylate has a molecular weight of 332.42 g/mol, XLogP of 0.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(1,1-dioxothiazinan-2-yl)acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 110687694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).