[4-[(1-oxo-1,2-thiazolidin-2-yl)methyl]cyclohexyl]methyl methanesulfinate

C12H23NO3S2 — CID 135173341

IUPAC[4-[(1-oxo-1,2-thiazolidin-2-yl)methyl]cyclohexyl]methyl methanesulfinate
SMILESCS(=O)OCC1CCC(CN2CCCS2=O)CC1
InChIInChI=1S/C12H23NO3S2/c1-17(14)16-10-12-5-3-11(4-6-12)9-13-7-2-8-18(13)15/h11-12H,2-10H2,1H3
InChIKeyDFFWKKOWAXSOJC-UHFFFAOYSA-N
MW293.45 g/mol
LogP1.47
Rot. Bonds5

About [4-[(1-oxo-1,2-thiazolidin-2-yl)methyl]cyclohexyl]methyl methanesulfinate

[4-[(1-oxo-1,2-thiazolidin-2-yl)methyl]cyclohexyl]methyl methanesulfinate (PubChem CID 135173341) has the molecular formula C12H23NO3S2 and a molecular weight of 293.45 g/mol. Its IUPAC name is [4-[(1-oxo-1,2-thiazolidin-2-yl)methyl]cyclohexyl]methyl methanesulfinate.

Molecular Properties

Compound Name[4-[(1-oxo-1,2-thiazolidin-2-yl)methyl]cyclohexyl]methyl methanesulfinate
PubChem CID135173341
Molecular FormulaC12H23NO3S2
Molecular Weight293.45 g/mol
Exact Mass293.11
IUPAC Name[4-[(1-oxo-1,2-thiazolidin-2-yl)methyl]cyclohexyl]methyl methanesulfinate
SMILESCS(=O)OCC1CCC(CN2CCCS2=O)CC1
InChIInChI=1S/C12H23NO3S2/c1-17(14)16-10-12-5-3-11(4-6-12)9-13-7-2-8-18(13)15/h11-12H,2-10H2,1H3
InChIKeyDFFWKKOWAXSOJC-UHFFFAOYSA-N
XLogP1.47
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[(1-oxo-1,2-thiazolidin-2-yl)methyl]cyclohexyl]methyl methanesulfinate?
The IUPAC name of [4-[(1-oxo-1,2-thiazolidin-2-yl)methyl]cyclohexyl]methyl methanesulfinate (CID 135173341) is [4-[(1-oxo-1,2-thiazolidin-2-yl)methyl]cyclohexyl]methyl methanesulfinate.
What is the SMILES notation for [4-[(1-oxo-1,2-thiazolidin-2-yl)methyl]cyclohexyl]methyl methanesulfinate?
The canonical SMILES for [4-[(1-oxo-1,2-thiazolidin-2-yl)methyl]cyclohexyl]methyl methanesulfinate is CS(=O)OCC1CCC(CN2CCCS2=O)CC1.
What is the InChIKey of [4-[(1-oxo-1,2-thiazolidin-2-yl)methyl]cyclohexyl]methyl methanesulfinate?
The InChIKey is DFFWKKOWAXSOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3S2/c1-17(14)16-10-12-5-3-11(4-6-12)9-13-7-2-8-18(13)15/h11-12H,2-10H2,1H3.
What are the key properties of [4-[(1-oxo-1,2-thiazolidin-2-yl)methyl]cyclohexyl]methyl methanesulfinate?
[4-[(1-oxo-1,2-thiazolidin-2-yl)methyl]cyclohexyl]methyl methanesulfinate has a molecular weight of 293.45 g/mol, XLogP of 1.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1-oxo-1,2-thiazolidin-2-yl)methyl]cyclohexyl]methyl methanesulfinate is sourced from PubChem (CID 135173341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).