Methyl N-sulfonylcarbamate;oxolane

Name: Methyl N-sulfonylcarbamate;oxolane — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₆H₁₁NO₅S — CID 139258006

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACmethyl N-sulfonylcarbamate;oxolane

SMILESC1CCOC1.COC(=O)N=S(=O)=O

InChIInChI=1S/C4H8O.C2H3NO4S/c1-2-4-5-3-1;1-7-2(4)3-8(5)6/h1-4H2;1H3

InChIKeyUNCKZMZAQHKEKW-UHFFFAOYSA-N

MW209.22 g/mol

LogP0.61

Rot. Bonds

About Methyl N-sulfonylcarbamate;oxolane

Methyl N-sulfonylcarbamate;oxolane (PubChem CID 139258006) has the molecular formula C₆H₁₁NO₅S and a molecular weight of 209.22 g/mol. Its IUPAC name is methyl N-sulfonylcarbamate;oxolane.

Molecular Properties

Compound Name	Methyl N-sulfonylcarbamate;oxolane
PubChem CID	139258006
Molecular Formula	C₆H₁₁NO₅S
Molecular Weight	209.22 g/mol
Exact Mass	209.04
IUPAC Name	methyl N-sulfonylcarbamate;oxolane
SMILES	C1CCOC1.COC(=O)N=S(=O)=O
InChI	InChI=1S/C4H8O.C2H3NO4S/c1-2-4-5-3-1;1-7-2(4)3-8(5)6/h1-4H2;1H3
InChIKey	UNCKZMZAQHKEKW-UHFFFAOYSA-N
XLogP	0.61
TPSA	82.03 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds
Heavy Atoms	13
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	209.22
LogP ≤ 5	0.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of Methyl N-sulfonylcarbamate;oxolane?

The IUPAC name of Methyl N-sulfonylcarbamate;oxolane (CID 139258006) is methyl N-sulfonylcarbamate;oxolane.

What is the SMILES notation for Methyl N-sulfonylcarbamate;oxolane?

The canonical SMILES for Methyl N-sulfonylcarbamate;oxolane is C1CCOC1.COC(=O)N=S(=O)=O.

What is the InChIKey of Methyl N-sulfonylcarbamate;oxolane?

The InChIKey is UNCKZMZAQHKEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.C2H3NO4S/c1-2-4-5-3-1;1-7-2(4)3-8(5)6/h1-4H2;1H3.

What are the key properties of Methyl N-sulfonylcarbamate;oxolane?

Methyl N-sulfonylcarbamate;oxolane has a molecular weight of 209.22 g/mol, XLogP of 0.61, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Methyl N-sulfonylcarbamate;oxolane is sourced from PubChem (CID 139258006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 139258006 — identifiers, structure, computed properties (public domain)

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