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

C12H25N3O4S — CID 103352824

IUPACpropan-2-yl N-[2-(aminomethyl)-4-ethylpiperidin-1-yl]sulfonylcarbamate
SMILESCCC1CCN(S(=O)(=O)NC(=O)OC(C)C)C(CN)C1
InChIInChI=1S/C12H25N3O4S/c1-4-10-5-6-15(11(7-10)8-13)20(17,18)14-12(16)19-9(2)3/h9-11H,4-8,13H2,1-3H3,(H,14,16)
InChIKeyMTGBUHDPHZBGIE-UHFFFAOYSA-N
MW307.42 g/mol
LogP0.82
Rot. Bonds5

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

propan-2-yl N-[2-(aminomethyl)-4-ethylpiperidin-1-yl]sulfonylcarbamate (PubChem CID 103352824) has the molecular formula C12H25N3O4S and a molecular weight of 307.42 g/mol. Its IUPAC name is propan-2-yl N-[2-(aminomethyl)-4-ethylpiperidin-1-yl]sulfonylcarbamate.

Molecular Properties

Compound Namepropan-2-yl N-[2-(aminomethyl)-4-ethylpiperidin-1-yl]sulfonylcarbamate
PubChem CID103352824
Molecular FormulaC12H25N3O4S
Molecular Weight307.42 g/mol
Exact Mass307.16
IUPAC Namepropan-2-yl N-[2-(aminomethyl)-4-ethylpiperidin-1-yl]sulfonylcarbamate
SMILESCCC1CCN(S(=O)(=O)NC(=O)OC(C)C)C(CN)C1
InChIInChI=1S/C12H25N3O4S/c1-4-10-5-6-15(11(7-10)8-13)20(17,18)14-12(16)19-9(2)3/h9-11H,4-8,13H2,1-3H3,(H,14,16)
InChIKeyMTGBUHDPHZBGIE-UHFFFAOYSA-N
XLogP0.82
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[2-(aminomethyl)-4-ethylpiperidin-1-yl]sulfonylcarbamate?
The IUPAC name of propan-2-yl N-[2-(aminomethyl)-4-ethylpiperidin-1-yl]sulfonylcarbamate (CID 103352824) is propan-2-yl N-[2-(aminomethyl)-4-ethylpiperidin-1-yl]sulfonylcarbamate.
What is the SMILES notation for propan-2-yl N-[2-(aminomethyl)-4-ethylpiperidin-1-yl]sulfonylcarbamate?
The canonical SMILES for propan-2-yl N-[2-(aminomethyl)-4-ethylpiperidin-1-yl]sulfonylcarbamate is CCC1CCN(S(=O)(=O)NC(=O)OC(C)C)C(CN)C1.
What is the InChIKey of propan-2-yl N-[2-(aminomethyl)-4-ethylpiperidin-1-yl]sulfonylcarbamate?
The InChIKey is MTGBUHDPHZBGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O4S/c1-4-10-5-6-15(11(7-10)8-13)20(17,18)14-12(16)19-9(2)3/h9-11H,4-8,13H2,1-3H3,(H,14,16).
What are the key properties of propan-2-yl N-[2-(aminomethyl)-4-ethylpiperidin-1-yl]sulfonylcarbamate?
propan-2-yl N-[2-(aminomethyl)-4-ethylpiperidin-1-yl]sulfonylcarbamate has a molecular weight of 307.42 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[2-(aminomethyl)-4-ethylpiperidin-1-yl]sulfonylcarbamate is sourced from PubChem (CID 103352824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).