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

C7H14N2O5S — CID 114464143

IUPACmethyl N-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylcarbamate
SMILESCOC(=O)NS(=O)(=O)N1CCCC1CO
InChIInChI=1S/C7H14N2O5S/c1-14-7(11)8-15(12,13)9-4-2-3-6(9)5-10/h6,10H,2-5H2,1H3,(H,8,11)
InChIKeyWYEPTFXKBPZUEX-UHFFFAOYSA-N
MW238.26 g/mol
LogP-0.96
Rot. Bonds3

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

methyl N-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylcarbamate (PubChem CID 114464143) has the molecular formula C7H14N2O5S and a molecular weight of 238.26 g/mol. Its IUPAC name is methyl N-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylcarbamate.

Molecular Properties

Compound Namemethyl N-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylcarbamate
PubChem CID114464143
Molecular FormulaC7H14N2O5S
Molecular Weight238.26 g/mol
Exact Mass238.06
IUPAC Namemethyl N-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylcarbamate
SMILESCOC(=O)NS(=O)(=O)N1CCCC1CO
InChIInChI=1S/C7H14N2O5S/c1-14-7(11)8-15(12,13)9-4-2-3-6(9)5-10/h6,10H,2-5H2,1H3,(H,8,11)
InChIKeyWYEPTFXKBPZUEX-UHFFFAOYSA-N
XLogP-0.96
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 5-0.96
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)pyrrolidin-1-yl]sulfonylcarbamate?
The IUPAC name of methyl N-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylcarbamate (CID 114464143) is methyl N-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylcarbamate.
What is the SMILES notation for methyl N-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylcarbamate?
The canonical SMILES for methyl N-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylcarbamate is COC(=O)NS(=O)(=O)N1CCCC1CO.
What is the InChIKey of methyl N-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylcarbamate?
The InChIKey is WYEPTFXKBPZUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O5S/c1-14-7(11)8-15(12,13)9-4-2-3-6(9)5-10/h6,10H,2-5H2,1H3,(H,8,11).
What are the key properties of methyl N-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylcarbamate?
methyl N-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylcarbamate has a molecular weight of 238.26 g/mol, XLogP of -0.96, 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)pyrrolidin-1-yl]sulfonylcarbamate is sourced from PubChem (CID 114464143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).