1-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl-sulfinoamino]cyclopropane

C10H19NO5S — CID 174718205

IUPAC1-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl-sulfinoamino]cyclopropane
SMILESCOCC1(N(C(=O)OC(C)(C)C)S(=O)O)CC1
InChIInChI=1S/C10H19NO5S/c1-9(2,3)16-8(12)11(17(13)14)10(5-6-10)7-15-4/h5-7H2,1-4H3,(H,13,14)
InChIKeyRGYARWSMSSWXNE-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.54
Rot. Bonds4

About 1-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl-sulfinoamino]cyclopropane

1-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl-sulfinoamino]cyclopropane (PubChem CID 174718205) has the molecular formula C10H19NO5S and a molecular weight of 265.33 g/mol. Its IUPAC name is 1-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl-sulfinoamino]cyclopropane.

Molecular Properties

Compound Name1-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl-sulfinoamino]cyclopropane
PubChem CID174718205
Molecular FormulaC10H19NO5S
Molecular Weight265.33 g/mol
Exact Mass265.10
IUPAC Name1-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl-sulfinoamino]cyclopropane
SMILESCOCC1(N(C(=O)OC(C)(C)C)S(=O)O)CC1
InChIInChI=1S/C10H19NO5S/c1-9(2,3)16-8(12)11(17(13)14)10(5-6-10)7-15-4/h5-7H2,1-4H3,(H,13,14)
InChIKeyRGYARWSMSSWXNE-UHFFFAOYSA-N
XLogP1.54
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl-sulfinoamino]cyclopropane?
The IUPAC name of 1-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl-sulfinoamino]cyclopropane (CID 174718205) is 1-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl-sulfinoamino]cyclopropane.
What is the SMILES notation for 1-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl-sulfinoamino]cyclopropane?
The canonical SMILES for 1-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl-sulfinoamino]cyclopropane is COCC1(N(C(=O)OC(C)(C)C)S(=O)O)CC1.
What is the InChIKey of 1-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl-sulfinoamino]cyclopropane?
The InChIKey is RGYARWSMSSWXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5S/c1-9(2,3)16-8(12)11(17(13)14)10(5-6-10)7-15-4/h5-7H2,1-4H3,(H,13,14).
What are the key properties of 1-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl-sulfinoamino]cyclopropane?
1-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl-sulfinoamino]cyclopropane has a molecular weight of 265.33 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl-sulfinoamino]cyclopropane is sourced from PubChem (CID 174718205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).