ethyl N-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate

C9H19N3O4S — CID 102783716

IUPACethyl N-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate
SMILESCCOC(=O)NS(=O)(=O)N1CCC(C)C1CN
InChIInChI=1S/C9H19N3O4S/c1-3-16-9(13)11-17(14,15)12-5-4-7(2)8(12)6-10/h7-8H,3-6,10H2,1-2H3,(H,11,13)
InChIKeyDXROBQKOYFWUPI-UHFFFAOYSA-N
MW265.33 g/mol
LogP-0.35
Rot. Bonds4

About ethyl N-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate

ethyl N-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate (PubChem CID 102783716) has the molecular formula C9H19N3O4S and a molecular weight of 265.33 g/mol. Its IUPAC name is ethyl N-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate.

Molecular Properties

Compound Nameethyl N-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate
PubChem CID102783716
Molecular FormulaC9H19N3O4S
Molecular Weight265.33 g/mol
Exact Mass265.11
IUPAC Nameethyl N-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate
SMILESCCOC(=O)NS(=O)(=O)N1CCC(C)C1CN
InChIInChI=1S/C9H19N3O4S/c1-3-16-9(13)11-17(14,15)12-5-4-7(2)8(12)6-10/h7-8H,3-6,10H2,1-2H3,(H,11,13)
InChIKeyDXROBQKOYFWUPI-UHFFFAOYSA-N
XLogP-0.35
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethylN-[(3-amino-3-methylpyrrolidin-1-yl)sulfonyl]carbamatehydrochloride
CID 165683431
ethyl N-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-ylsulfonyl)carbamate
CID 102680772
ethyl N-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-ylsulfonyl)carbamate
CID 102680964
ethyl N-[[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]sulfonyl]carbamate
CID 102681155
Ethyl 2-(aminomethyl)-3-methylpyrrolidine-1-carboxylate
CID 102783652
2-Methylpropyl 2-(aminomethyl)-3-methylpyrrolidine-1-carboxylate
CID 102783669
methyl N-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate
CID 102783808
ethyl N-[2-(bromomethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate
CID 102788777
ethyl N-[2-(aminomethyl)-4-ethylpiperidin-1-yl]sulfonylcarbamate
CID 103352737
ethyl N-[2-(aminomethyl)-4-methylpiperidin-1-yl]sulfonylcarbamate
CID 103441458
ethyl N-(3-amino-4-methylpyrrolidin-1-yl)sulfonylcarbamate
CID 103576357
propan-2-yl N-(3-amino-4-methylpyrrolidin-1-yl)sulfonylcarbamate
CID 103576513

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate?
The IUPAC name of ethyl N-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate (CID 102783716) is ethyl N-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate.
What is the SMILES notation for ethyl N-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate?
The canonical SMILES for ethyl N-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate is CCOC(=O)NS(=O)(=O)N1CCC(C)C1CN.
What is the InChIKey of ethyl N-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate?
The InChIKey is DXROBQKOYFWUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O4S/c1-3-16-9(13)11-17(14,15)12-5-4-7(2)8(12)6-10/h7-8H,3-6,10H2,1-2H3,(H,11,13).
What are the key properties of ethyl N-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate?
ethyl N-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate has a molecular weight of 265.33 g/mol, XLogP of -0.35, 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)-3-methylpyrrolidin-1-yl]sulfonylcarbamate is sourced from PubChem (CID 102783716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).