ethyl 2-[(2-methylpropan-2-yl)oxycarbonylsulfinamoyl]cyclopropane-1-carboxylate

C11H19NO5S — CID 155013029

IUPACethyl 2-[(2-methylpropan-2-yl)oxycarbonylsulfinamoyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1S(=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO5S/c1-5-16-9(13)7-6-8(7)18(15)12-10(14)17-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,12,14)
InChIKeyBRNHWHQZDGDAAX-UHFFFAOYSA-N
MW277.34 g/mol
LogP1.13
Rot. Bonds4

About ethyl 2-[(2-methylpropan-2-yl)oxycarbonylsulfinamoyl]cyclopropane-1-carboxylate

ethyl 2-[(2-methylpropan-2-yl)oxycarbonylsulfinamoyl]cyclopropane-1-carboxylate (PubChem CID 155013029) has the molecular formula C11H19NO5S and a molecular weight of 277.34 g/mol. Its IUPAC name is ethyl 2-[(2-methylpropan-2-yl)oxycarbonylsulfinamoyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2-methylpropan-2-yl)oxycarbonylsulfinamoyl]cyclopropane-1-carboxylate
PubChem CID155013029
Molecular FormulaC11H19NO5S
Molecular Weight277.34 g/mol
Exact Mass277.10
IUPAC Nameethyl 2-[(2-methylpropan-2-yl)oxycarbonylsulfinamoyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1S(=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO5S/c1-5-16-9(13)7-6-8(7)18(15)12-10(14)17-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,12,14)
InChIKeyBRNHWHQZDGDAAX-UHFFFAOYSA-N
XLogP1.13
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (1S,2R,4R,5S)-4,5-dihydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate
CID 102420535
cis-ethyl (1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 53393786
tert-butyl carbamate;ethyl 2-ethenylcyclopropane-1-carboxylate
CID 143394150
ethyl (1S,2S,5S)-5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohex-3-ene-1-carboxylate
CID 56590360
trans-ethyl (1R,2R)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]cyclopropane-1-carboxylate
CID 25111498
ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate
CID 102548857
ethyl (1S,2R,3R,4R)-4-azido-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 23658907
ethyl 4-amino-2-ethylcyclopentane-1-carboxylate;ethyl 2-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 161055882
ethyl (1S,2R,3S,4R)-3,4-diacetyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate
CID 135018673
ethyl (1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohex-3-ene-1-carboxylate
CID 102420537
1-O-tert-butyl 3-O,4-O-diethyl (3S)-pyrrolidine-1,3,4-tricarboxylate
CID 91654881
cis-ethyl (3R,4S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 153283100

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-methylpropan-2-yl)oxycarbonylsulfinamoyl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-[(2-methylpropan-2-yl)oxycarbonylsulfinamoyl]cyclopropane-1-carboxylate (CID 155013029) is ethyl 2-[(2-methylpropan-2-yl)oxycarbonylsulfinamoyl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-[(2-methylpropan-2-yl)oxycarbonylsulfinamoyl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-[(2-methylpropan-2-yl)oxycarbonylsulfinamoyl]cyclopropane-1-carboxylate is CCOC(=O)C1CC1S(=O)NC(=O)OC(C)(C)C.
What is the InChIKey of ethyl 2-[(2-methylpropan-2-yl)oxycarbonylsulfinamoyl]cyclopropane-1-carboxylate?
The InChIKey is BRNHWHQZDGDAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5S/c1-5-16-9(13)7-6-8(7)18(15)12-10(14)17-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,12,14).
What are the key properties of ethyl 2-[(2-methylpropan-2-yl)oxycarbonylsulfinamoyl]cyclopropane-1-carboxylate?
ethyl 2-[(2-methylpropan-2-yl)oxycarbonylsulfinamoyl]cyclopropane-1-carboxylate has a molecular weight of 277.34 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-methylpropan-2-yl)oxycarbonylsulfinamoyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 155013029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).