[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonylcarbamic acid

C7H14N2O5S — CID 68551134

IUPAC[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonylcarbamic acid
SMILESCOC[C@@H]1CCCN1S(=O)(=O)NC(=O)O
InChIInChI=1S/C7H14N2O5S/c1-14-5-6-3-2-4-9(6)15(12,13)8-7(10)11/h6,8H,2-5H2,1H3,(H,10,11)/t6-/m0/s1
InChIKeyIOMXYCRVFMLDSJ-LURJTMIESA-N
MW238.26 g/mol
LogP-0.39
Rot. Bonds4

About [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonylcarbamic acid

[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonylcarbamic acid (PubChem CID 68551134) has the molecular formula C7H14N2O5S and a molecular weight of 238.26 g/mol. Its IUPAC name is [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonylcarbamic acid.

Molecular Properties

Compound Name[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonylcarbamic acid
PubChem CID68551134
Molecular FormulaC7H14N2O5S
Molecular Weight238.26 g/mol
Exact Mass238.06
IUPAC Name[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonylcarbamic acid
SMILESCOC[C@@H]1CCCN1S(=O)(=O)NC(=O)O
InChIInChI=1S/C7H14N2O5S/c1-14-5-6-3-2-4-9(6)15(12,13)8-7(10)11/h6,8H,2-5H2,1H3,(H,10,11)/t6-/m0/s1
InChIKeyIOMXYCRVFMLDSJ-LURJTMIESA-N
XLogP-0.39
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonylcarbamic acid
CID 68552028
methyl N-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate
CID 102786306
ethyl N-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylcarbamate
CID 104929203
methyl N-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylcarbamate
CID 104929204
propan-2-yl N-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylcarbamate
CID 104929205
ethyl N-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylcarbamate
CID 104929206
methyl N-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylcarbamate
CID 104929207
propan-2-yl N-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylcarbamate
CID 113588930
propan-2-yl N-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylcarbamate
CID 114464141
ethyl N-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylcarbamate
CID 114464142
methyl N-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylcarbamate
CID 114464143

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonylcarbamic acid?
The IUPAC name of [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonylcarbamic acid (CID 68551134) is [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonylcarbamic acid.
What is the SMILES notation for [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonylcarbamic acid?
The canonical SMILES for [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonylcarbamic acid is COC[C@@H]1CCCN1S(=O)(=O)NC(=O)O.
What is the InChIKey of [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonylcarbamic acid?
The InChIKey is IOMXYCRVFMLDSJ-LURJTMIESA-N. The full InChI is InChI=1S/C7H14N2O5S/c1-14-5-6-3-2-4-9(6)15(12,13)8-7(10)11/h6,8H,2-5H2,1H3,(H,10,11)/t6-/m0/s1.
What are the key properties of [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonylcarbamic acid?
[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonylcarbamic acid has a molecular weight of 238.26 g/mol, XLogP of -0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonylcarbamic acid is sourced from PubChem (CID 68551134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).