methyl 2-cyclopropyl-2-(oxolan-2-ylmethylsulfonyl)acetate

C11H18O5S — CID 106493674

IUPACmethyl 2-cyclopropyl-2-(oxolan-2-ylmethylsulfonyl)acetate
SMILESCOC(=O)C(C1CC1)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C11H18O5S/c1-15-11(12)10(8-4-5-8)17(13,14)7-9-3-2-6-16-9/h8-10H,2-7H2,1H3
InChIKeyGTEKHJWCWKPBDG-UHFFFAOYSA-N
MW262.33 g/mol
LogP0.53
Rot. Bonds5

About methyl 2-cyclopropyl-2-(oxolan-2-ylmethylsulfonyl)acetate

methyl 2-cyclopropyl-2-(oxolan-2-ylmethylsulfonyl)acetate (PubChem CID 106493674) has the molecular formula C11H18O5S and a molecular weight of 262.33 g/mol. Its IUPAC name is methyl 2-cyclopropyl-2-(oxolan-2-ylmethylsulfonyl)acetate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-2-(oxolan-2-ylmethylsulfonyl)acetate
PubChem CID106493674
Molecular FormulaC11H18O5S
Molecular Weight262.33 g/mol
Exact Mass262.09
IUPAC Namemethyl 2-cyclopropyl-2-(oxolan-2-ylmethylsulfonyl)acetate
SMILESCOC(=O)C(C1CC1)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C11H18O5S/c1-15-11(12)10(8-4-5-8)17(13,14)7-9-3-2-6-16-9/h8-10H,2-7H2,1H3
InChIKeyGTEKHJWCWKPBDG-UHFFFAOYSA-N
XLogP0.53
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-chloro-3-(oxolan-2-ylmethylsulfonylamino)propanoate
CID 103493490
methyl 2-hydroxy-3-[(2R)-oxolan-2-yl]propanoate
CID 67130803
2-methyl-3-(oxolan-2-ylmethylsulfonyl)butanoic acid
CID 106493648
4-(oxolan-2-ylmethylsulfonyl)pentan-2-one
CID 106497123
methyl 3-methyl-2-(oxolan-2-ylmethylamino)butanoate
CID 43386449
methyl 2-methyl-3-(oxolan-2-ylmethylamino)butanoate
CID 79391941
methyl 3-(oxolan-2-yl)-2-(trifluoromethylsulfonyloxy)propanoate
CID 76786035
3-methoxy-2-(oxolan-2-ylmethylsulfonylamino)propanoic acid
CID 81076359
methyl 3-(oxolan-2-ylmethylsulfonylamino)propanoate
CID 62733314
methyl (2S)-2-methyl-4-oxo-4-[[(2S)-oxolan-2-yl]methylamino]butanoate
CID 97019343
(2R)-2-(methylsulfonylmethyl)oxolane
CID 68993549
2-(oxan-2-ylmethylsulfonyl)propan-1-amine
CID 81187851

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-2-(oxolan-2-ylmethylsulfonyl)acetate?
The IUPAC name of methyl 2-cyclopropyl-2-(oxolan-2-ylmethylsulfonyl)acetate (CID 106493674) is methyl 2-cyclopropyl-2-(oxolan-2-ylmethylsulfonyl)acetate.
What is the SMILES notation for methyl 2-cyclopropyl-2-(oxolan-2-ylmethylsulfonyl)acetate?
The canonical SMILES for methyl 2-cyclopropyl-2-(oxolan-2-ylmethylsulfonyl)acetate is COC(=O)C(C1CC1)S(=O)(=O)CC1CCCO1.
What is the InChIKey of methyl 2-cyclopropyl-2-(oxolan-2-ylmethylsulfonyl)acetate?
The InChIKey is GTEKHJWCWKPBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O5S/c1-15-11(12)10(8-4-5-8)17(13,14)7-9-3-2-6-16-9/h8-10H,2-7H2,1H3.
What are the key properties of methyl 2-cyclopropyl-2-(oxolan-2-ylmethylsulfonyl)acetate?
methyl 2-cyclopropyl-2-(oxolan-2-ylmethylsulfonyl)acetate has a molecular weight of 262.33 g/mol, XLogP of 0.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-2-(oxolan-2-ylmethylsulfonyl)acetate is sourced from PubChem (CID 106493674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).