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

C10H21N3O4S — CID 103441458

IUPACethyl N-[2-(aminomethyl)-4-methylpiperidin-1-yl]sulfonylcarbamate
SMILESCCOC(=O)NS(=O)(=O)N1CCC(C)CC1CN
InChIInChI=1S/C10H21N3O4S/c1-3-17-10(14)12-18(15,16)13-5-4-8(2)6-9(13)7-11/h8-9H,3-7,11H2,1-2H3,(H,12,14)
InChIKeyGBNILTJHNCNGBV-UHFFFAOYSA-N
MW279.36 g/mol
LogP0.04
Rot. Bonds4

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

ethyl N-[2-(aminomethyl)-4-methylpiperidin-1-yl]sulfonylcarbamate (PubChem CID 103441458) has the molecular formula C10H21N3O4S and a molecular weight of 279.36 g/mol. Its IUPAC name is ethyl N-[2-(aminomethyl)-4-methylpiperidin-1-yl]sulfonylcarbamate.

Molecular Properties

Compound Nameethyl N-[2-(aminomethyl)-4-methylpiperidin-1-yl]sulfonylcarbamate
PubChem CID103441458
Molecular FormulaC10H21N3O4S
Molecular Weight279.36 g/mol
Exact Mass279.13
IUPAC Nameethyl N-[2-(aminomethyl)-4-methylpiperidin-1-yl]sulfonylcarbamate
SMILESCCOC(=O)NS(=O)(=O)N1CCC(C)CC1CN
InChIInChI=1S/C10H21N3O4S/c1-3-17-10(14)12-18(15,16)13-5-4-8(2)6-9(13)7-11/h8-9H,3-7,11H2,1-2H3,(H,12,14)
InChIKeyGBNILTJHNCNGBV-UHFFFAOYSA-N
XLogP0.04
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 50.04
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-methylpiperidin-1-yl]sulfonylcarbamate?
The IUPAC name of ethyl N-[2-(aminomethyl)-4-methylpiperidin-1-yl]sulfonylcarbamate (CID 103441458) is ethyl N-[2-(aminomethyl)-4-methylpiperidin-1-yl]sulfonylcarbamate.
What is the SMILES notation for ethyl N-[2-(aminomethyl)-4-methylpiperidin-1-yl]sulfonylcarbamate?
The canonical SMILES for ethyl N-[2-(aminomethyl)-4-methylpiperidin-1-yl]sulfonylcarbamate is CCOC(=O)NS(=O)(=O)N1CCC(C)CC1CN.
What is the InChIKey of ethyl N-[2-(aminomethyl)-4-methylpiperidin-1-yl]sulfonylcarbamate?
The InChIKey is GBNILTJHNCNGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O4S/c1-3-17-10(14)12-18(15,16)13-5-4-8(2)6-9(13)7-11/h8-9H,3-7,11H2,1-2H3,(H,12,14).
What are the key properties of ethyl N-[2-(aminomethyl)-4-methylpiperidin-1-yl]sulfonylcarbamate?
ethyl N-[2-(aminomethyl)-4-methylpiperidin-1-yl]sulfonylcarbamate has a molecular weight of 279.36 g/mol, XLogP of 0.04, 4 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-methylpiperidin-1-yl]sulfonylcarbamate is sourced from PubChem (CID 103441458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).