methyl 2-(4-methoxycyclohexyl)sulfonyl-2-methylpropanoate

C12H22O5S — CID 163843721

IUPACmethyl 2-(4-methoxycyclohexyl)sulfonyl-2-methylpropanoate
SMILESCOC(=O)C(C)(C)S(=O)(=O)C1CCC(OC)CC1
InChIInChI=1S/C12H22O5S/c1-12(2,11(13)17-4)18(14,15)10-7-5-9(16-3)6-8-10/h9-10H,5-8H2,1-4H3
InChIKeyOOGXDTPKXCPGDU-UHFFFAOYSA-N
MW278.37 g/mol
LogP1.31
Rot. Bonds4

About methyl 2-(4-methoxycyclohexyl)sulfonyl-2-methylpropanoate

methyl 2-(4-methoxycyclohexyl)sulfonyl-2-methylpropanoate (PubChem CID 163843721) has the molecular formula C12H22O5S and a molecular weight of 278.37 g/mol. Its IUPAC name is methyl 2-(4-methoxycyclohexyl)sulfonyl-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-(4-methoxycyclohexyl)sulfonyl-2-methylpropanoate
PubChem CID163843721
Molecular FormulaC12H22O5S
Molecular Weight278.37 g/mol
Exact Mass278.12
IUPAC Namemethyl 2-(4-methoxycyclohexyl)sulfonyl-2-methylpropanoate
SMILESCOC(=O)C(C)(C)S(=O)(=O)C1CCC(OC)CC1
InChIInChI=1S/C12H22O5S/c1-12(2,11(13)17-4)18(14,15)10-7-5-9(16-3)6-8-10/h9-10H,5-8H2,1-4H3
InChIKeyOOGXDTPKXCPGDU-UHFFFAOYSA-N
XLogP1.31
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-tert-butyltetrazol-5-yl)-3-(4-methoxycyclohexyl)sulfonyl-3-methylbutan-2-one
CID 158177578
4-methoxy-N-methylcycloheptane-1-sulfonamide
CID 165446177
2-hydroxy-1-(4-methoxycyclohexyl)-2-methylpropan-1-one
CID 118486366
methyl 2-methyl-2-[5-[[2-methyl-2-(oxan-4-ylsulfonyl)propanoyl]amino]-1,2-oxazol-3-yl]propanoate
CID 56603323
tert-butyl 4-methoxycyclohexane-1-carboxylate
CID 59780016
4-methoxycycloheptane-1-sulfonyl chloride
CID 165446786
(4-methoxycyclohexyl)carbamic acid
CID 68557751
methyl 3-cyclohexylsulfonyl-2,2-dimethylpropanoate
CID 79629680
2,2-dimethylbutane;2,2-dimethylpropane;methyl 2,2-dimethylpropanoate;propan-2-ylsulfonylcyclopropane
CID 167556913
methyl 2-cyclopropyl-2-methylsulfonyloxypropanoate
CID 87567850
methyl N-(4-methoxycyclohexyl)carbamate;hydrochloride
CID 67267082
2,2,2-trifluoro-1-(4-methoxycyclohexyl)ethanone
CID 66706358

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methoxycyclohexyl)sulfonyl-2-methylpropanoate?
The IUPAC name of methyl 2-(4-methoxycyclohexyl)sulfonyl-2-methylpropanoate (CID 163843721) is methyl 2-(4-methoxycyclohexyl)sulfonyl-2-methylpropanoate.
What is the SMILES notation for methyl 2-(4-methoxycyclohexyl)sulfonyl-2-methylpropanoate?
The canonical SMILES for methyl 2-(4-methoxycyclohexyl)sulfonyl-2-methylpropanoate is COC(=O)C(C)(C)S(=O)(=O)C1CCC(OC)CC1.
What is the InChIKey of methyl 2-(4-methoxycyclohexyl)sulfonyl-2-methylpropanoate?
The InChIKey is OOGXDTPKXCPGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O5S/c1-12(2,11(13)17-4)18(14,15)10-7-5-9(16-3)6-8-10/h9-10H,5-8H2,1-4H3.
What are the key properties of methyl 2-(4-methoxycyclohexyl)sulfonyl-2-methylpropanoate?
methyl 2-(4-methoxycyclohexyl)sulfonyl-2-methylpropanoate has a molecular weight of 278.37 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methoxycyclohexyl)sulfonyl-2-methylpropanoate is sourced from PubChem (CID 163843721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).