methyl 3-(sulfinamoylmethyl)oxetane-3-carboxylate

C6H11NO4S — CID 165452822

IUPACmethyl 3-(sulfinamoylmethyl)oxetane-3-carboxylate
SMILESCOC(=O)C1(CS(N)=O)COC1
InChIInChI=1S/C6H11NO4S/c1-10-5(8)6(2-11-3-6)4-12(7)9/h2-4,7H2,1H3
InChIKeyVFBKJTFGHWEODV-UHFFFAOYSA-N
MW193.22 g/mol
LogP-1.20
Rot. Bonds3

About methyl 3-(sulfinamoylmethyl)oxetane-3-carboxylate

methyl 3-(sulfinamoylmethyl)oxetane-3-carboxylate (PubChem CID 165452822) has the molecular formula C6H11NO4S and a molecular weight of 193.22 g/mol. Its IUPAC name is methyl 3-(sulfinamoylmethyl)oxetane-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-(sulfinamoylmethyl)oxetane-3-carboxylate
PubChem CID165452822
Molecular FormulaC6H11NO4S
Molecular Weight193.22 g/mol
Exact Mass193.04
IUPAC Namemethyl 3-(sulfinamoylmethyl)oxetane-3-carboxylate
SMILESCOC(=O)C1(CS(N)=O)COC1
InChIInChI=1S/C6H11NO4S/c1-10-5(8)6(2-11-3-6)4-12(7)9/h2-4,7H2,1H3
InChIKeyVFBKJTFGHWEODV-UHFFFAOYSA-N
XLogP-1.20
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 5-1.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(sulfinamoylmethyl)oxetane-3-carboxylate?
The IUPAC name of methyl 3-(sulfinamoylmethyl)oxetane-3-carboxylate (CID 165452822) is methyl 3-(sulfinamoylmethyl)oxetane-3-carboxylate.
What is the SMILES notation for methyl 3-(sulfinamoylmethyl)oxetane-3-carboxylate?
The canonical SMILES for methyl 3-(sulfinamoylmethyl)oxetane-3-carboxylate is COC(=O)C1(CS(N)=O)COC1.
What is the InChIKey of methyl 3-(sulfinamoylmethyl)oxetane-3-carboxylate?
The InChIKey is VFBKJTFGHWEODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4S/c1-10-5(8)6(2-11-3-6)4-12(7)9/h2-4,7H2,1H3.
What are the key properties of methyl 3-(sulfinamoylmethyl)oxetane-3-carboxylate?
methyl 3-(sulfinamoylmethyl)oxetane-3-carboxylate has a molecular weight of 193.22 g/mol, XLogP of -1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(sulfinamoylmethyl)oxetane-3-carboxylate is sourced from PubChem (CID 165452822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).