ethyl N-[2-(aminomethyl)-4-ethylpiperidin-1-yl]sulfonylcarbamate

C11H23N3O4S — CID 103352737

IUPACethyl N-[2-(aminomethyl)-4-ethylpiperidin-1-yl]sulfonylcarbamate
SMILESCCOC(=O)NS(=O)(=O)N1CCC(CC)CC1CN
InChIInChI=1S/C11H23N3O4S/c1-3-9-5-6-14(10(7-9)8-12)19(16,17)13-11(15)18-4-2/h9-10H,3-8,12H2,1-2H3,(H,13,15)
InChIKeyIFEGLDKOHBTSEN-UHFFFAOYSA-N
MW293.39 g/mol
LogP0.43
Rot. Bonds5

About ethyl N-[2-(aminomethyl)-4-ethylpiperidin-1-yl]sulfonylcarbamate

ethyl N-[2-(aminomethyl)-4-ethylpiperidin-1-yl]sulfonylcarbamate (PubChem CID 103352737) has the molecular formula C11H23N3O4S and a molecular weight of 293.39 g/mol. Its IUPAC name is ethyl N-[2-(aminomethyl)-4-ethylpiperidin-1-yl]sulfonylcarbamate.

Molecular Properties

Compound Nameethyl N-[2-(aminomethyl)-4-ethylpiperidin-1-yl]sulfonylcarbamate
PubChem CID103352737
Molecular FormulaC11H23N3O4S
Molecular Weight293.39 g/mol
Exact Mass293.14
IUPAC Nameethyl N-[2-(aminomethyl)-4-ethylpiperidin-1-yl]sulfonylcarbamate
SMILESCCOC(=O)NS(=O)(=O)N1CCC(CC)CC1CN
InChIInChI=1S/C11H23N3O4S/c1-3-9-5-6-14(10(7-9)8-12)19(16,17)13-11(15)18-4-2/h9-10H,3-8,12H2,1-2H3,(H,13,15)
InChIKeyIFEGLDKOHBTSEN-UHFFFAOYSA-N
XLogP0.43
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(aminomethyl)-4-ethylpiperidin-1-yl]sulfonylcarbamate?
The IUPAC name of ethyl N-[2-(aminomethyl)-4-ethylpiperidin-1-yl]sulfonylcarbamate (CID 103352737) is ethyl N-[2-(aminomethyl)-4-ethylpiperidin-1-yl]sulfonylcarbamate.
What is the SMILES notation for ethyl N-[2-(aminomethyl)-4-ethylpiperidin-1-yl]sulfonylcarbamate?
The canonical SMILES for ethyl N-[2-(aminomethyl)-4-ethylpiperidin-1-yl]sulfonylcarbamate is CCOC(=O)NS(=O)(=O)N1CCC(CC)CC1CN.
What is the InChIKey of ethyl N-[2-(aminomethyl)-4-ethylpiperidin-1-yl]sulfonylcarbamate?
The InChIKey is IFEGLDKOHBTSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O4S/c1-3-9-5-6-14(10(7-9)8-12)19(16,17)13-11(15)18-4-2/h9-10H,3-8,12H2,1-2H3,(H,13,15).
What are the key properties of ethyl N-[2-(aminomethyl)-4-ethylpiperidin-1-yl]sulfonylcarbamate?
ethyl N-[2-(aminomethyl)-4-ethylpiperidin-1-yl]sulfonylcarbamate has a molecular weight of 293.39 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(aminomethyl)-4-ethylpiperidin-1-yl]sulfonylcarbamate is sourced from PubChem (CID 103352737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).