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'}

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

tert-butyl N-[1-(difluoromethoxymethyl)cyclopropyl]-N-methylcarbamate
CID 142576914
tert-butyl N-[1-(2-aminoethyl)cyclopropyl]-N-ethylcarbamate
CID 84692072
1-O-tert-butyl 4-O-methyl 4-(methoxymethyl)piperidine-1,4-dicarboxylate
CID 118290173
1-(methoxymethyl)cyclopropane-1-sulfinic acid
CID 165449823
tert-butyl N-ethyl-N-[1-(hydroxymethyl)cyclobutyl]carbamate
CID 171784493
tert-butyl N-hydroxy-N-[2-[(2R)-2-methyl-iodoniacycloprop-2-yl]propan-2-yl]carbamate
CID 134859319
[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]methyl benzoate
CID 155255342
1-[2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]cyclopropane-1-carboxylic acid
CID 84813407
tert-butyl 1-(3-methoxypropyl)cyclopropane-1-carboxylate
CID 154791918
tert-butyl 2-[1-[methoxy(methyl)carbamoyl]cyclopropyl]acetate
CID 58431089
tert-butyl (3R)-3-(methoxymethyl)-3-methylpiperidine-1-carboxylate
CID 129395641
3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]bicyclo[1.1.1]pentane-1-carboxylic acid
CID 122508081

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).