trans-methyl (2R,3R)-2-ethylsulfonyl-3-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylate

C10H16O6S — CID 142840062

IUPACtrans-methyl (2R,3R)-2-ethylsulfonyl-3-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylate
SMILESCCS(=O)(=O)[C@H]1C(C(=O)OC)[C@H]1CC(=O)OC
InChIInChI=1S/C10H16O6S/c1-4-17(13,14)9-6(5-7(11)15-2)8(9)10(12)16-3/h6,8-9H,4-5H2,1-3H3/t6-,8?,9-/m1/s1
InChIKeyKREWYRSFEAKHAU-CQTSCFDVSA-N
MW264.30 g/mol
LogP-0.23
Rot. Bonds5

About trans-methyl (2R,3R)-2-ethylsulfonyl-3-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylate

trans-methyl (2R,3R)-2-ethylsulfonyl-3-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylate (PubChem CID 142840062) has the molecular formula C10H16O6S and a molecular weight of 264.30 g/mol. Its IUPAC name is trans-methyl (2R,3R)-2-ethylsulfonyl-3-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-methyl (2R,3R)-2-ethylsulfonyl-3-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylate
PubChem CID142840062
Molecular FormulaC10H16O6S
Molecular Weight264.30 g/mol
Exact Mass264.07
IUPAC Nametrans-methyl (2R,3R)-2-ethylsulfonyl-3-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylate
SMILESCCS(=O)(=O)[C@H]1C(C(=O)OC)[C@H]1CC(=O)OC
InChIInChI=1S/C10H16O6S/c1-4-17(13,14)9-6(5-7(11)15-2)8(9)10(12)16-3/h6,8-9H,4-5H2,1-3H3/t6-,8?,9-/m1/s1
InChIKeyKREWYRSFEAKHAU-CQTSCFDVSA-N
XLogP-0.23
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of trans-methyl (2R,3R)-2-ethylsulfonyl-3-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylate?
The IUPAC name of trans-methyl (2R,3R)-2-ethylsulfonyl-3-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylate (CID 142840062) is trans-methyl (2R,3R)-2-ethylsulfonyl-3-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylate.
What is the SMILES notation for trans-methyl (2R,3R)-2-ethylsulfonyl-3-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylate?
The canonical SMILES for trans-methyl (2R,3R)-2-ethylsulfonyl-3-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylate is CCS(=O)(=O)[C@H]1C(C(=O)OC)[C@H]1CC(=O)OC.
What is the InChIKey of trans-methyl (2R,3R)-2-ethylsulfonyl-3-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylate?
The InChIKey is KREWYRSFEAKHAU-CQTSCFDVSA-N. The full InChI is InChI=1S/C10H16O6S/c1-4-17(13,14)9-6(5-7(11)15-2)8(9)10(12)16-3/h6,8-9H,4-5H2,1-3H3/t6-,8?,9-/m1/s1.
What are the key properties of trans-methyl (2R,3R)-2-ethylsulfonyl-3-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylate?
trans-methyl (2R,3R)-2-ethylsulfonyl-3-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylate has a molecular weight of 264.30 g/mol, XLogP of -0.23, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-methyl (2R,3R)-2-ethylsulfonyl-3-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 142840062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).