methyl N-sulfonylcarbamate;oxolane

C6H11NO5S — CID 139258006

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 Namemethyl N-sulfonylcarbamate;oxolane
PubChem CID139258006
Molecular FormulaC6H11NO5S
Molecular Weight209.22 g/mol
Exact Mass209.04
IUPAC Namemethyl 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
XLogP0.61
TPSA82.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl N-sulfonylcarbamate;oxolane with MolForge

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

Launch Full Analysis

Related Compounds

oxolane;propan-2-one
CID 22559816
carbonic acid;oxolane
CID 68584797
carbonic acid;oxane
CID 70293219
methanesulfonic acid;oxane
CID 160985149
oxolane;palladium(2+);diacetate
CID 173243487
1,6,11,16,21,26,31-heptaoxacyclopentatriacontane
CID 15446455
1,6,11,16,21,26,31,36,41,46-decaoxacyclopentacontane
CID 15446458
oxolane;propanoic acid
CID 162183532
oxolane;propan-2-ol;propan-2-one
CID 174956969
CID 172830117
CID 172830117
sodium;methanol;oxolane;hydroxide
CID 68905432
tert-butyl acetate;oxolane
CID 174954006

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).