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

C8H16N2O5S — CID 102786306

IUPACmethyl N-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate
SMILESCOC(=O)NS(=O)(=O)N1CCC(C)C1CO
InChIInChI=1S/C8H16N2O5S/c1-6-3-4-10(7(6)5-11)16(13,14)9-8(12)15-2/h6-7,11H,3-5H2,1-2H3,(H,9,12)
InChIKeySUEYIZLVAHZSHJ-UHFFFAOYSA-N
MW252.29 g/mol
LogP-0.71
Rot. Bonds3

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

methyl N-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate (PubChem CID 102786306) has the molecular formula C8H16N2O5S and a molecular weight of 252.29 g/mol. Its IUPAC name is methyl N-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate.

Molecular Properties

Compound Namemethyl N-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate
PubChem CID102786306
Molecular FormulaC8H16N2O5S
Molecular Weight252.29 g/mol
Exact Mass252.08
IUPAC Namemethyl N-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate
SMILESCOC(=O)NS(=O)(=O)N1CCC(C)C1CO
InChIInChI=1S/C8H16N2O5S/c1-6-3-4-10(7(6)5-11)16(13,14)9-8(12)15-2/h6-7,11H,3-5H2,1-2H3,(H,9,12)
InChIKeySUEYIZLVAHZSHJ-UHFFFAOYSA-N
XLogP-0.71
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate?
The IUPAC name of methyl N-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate (CID 102786306) is methyl N-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate.
What is the SMILES notation for methyl N-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate?
The canonical SMILES for methyl N-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate is COC(=O)NS(=O)(=O)N1CCC(C)C1CO.
What is the InChIKey of methyl N-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate?
The InChIKey is SUEYIZLVAHZSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O5S/c1-6-3-4-10(7(6)5-11)16(13,14)9-8(12)15-2/h6-7,11H,3-5H2,1-2H3,(H,9,12).
What are the key properties of methyl N-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate?
methyl N-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate has a molecular weight of 252.29 g/mol, XLogP of -0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate is sourced from PubChem (CID 102786306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).