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

C8H17N3O4S — CID 102783808

IUPACmethyl N-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate
SMILESCOC(=O)NS(=O)(=O)N1CCC(C)C1CN
InChIInChI=1S/C8H17N3O4S/c1-6-3-4-11(7(6)5-9)16(13,14)10-8(12)15-2/h6-7H,3-5,9H2,1-2H3,(H,10,12)
InChIKeyAEAUIWZEEOLRPB-UHFFFAOYSA-N
MW251.31 g/mol
LogP-0.74
Rot. Bonds3

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

methyl N-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate (PubChem CID 102783808) has the molecular formula C8H17N3O4S and a molecular weight of 251.31 g/mol. Its IUPAC name is methyl N-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate.

Molecular Properties

Compound Namemethyl N-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate
PubChem CID102783808
Molecular FormulaC8H17N3O4S
Molecular Weight251.31 g/mol
Exact Mass251.09
IUPAC Namemethyl N-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate
SMILESCOC(=O)NS(=O)(=O)N1CCC(C)C1CN
InChIInChI=1S/C8H17N3O4S/c1-6-3-4-11(7(6)5-9)16(13,14)10-8(12)15-2/h6-7H,3-5,9H2,1-2H3,(H,10,12)
InChIKeyAEAUIWZEEOLRPB-UHFFFAOYSA-N
XLogP-0.74
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl N-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate?
The IUPAC name of methyl N-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate (CID 102783808) is methyl N-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate.
What is the SMILES notation for methyl N-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate?
The canonical SMILES for methyl N-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate is COC(=O)NS(=O)(=O)N1CCC(C)C1CN.
What is the InChIKey of methyl N-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate?
The InChIKey is AEAUIWZEEOLRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O4S/c1-6-3-4-11(7(6)5-9)16(13,14)10-8(12)15-2/h6-7H,3-5,9H2,1-2H3,(H,10,12).
What are the key properties of methyl N-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate?
methyl N-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate has a molecular weight of 251.31 g/mol, XLogP of -0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate is sourced from PubChem (CID 102783808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).