2-[(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclohexan-1-ol

C11H21NO3S — CID 104549736

IUPAC2-[(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclohexan-1-ol
SMILESCC1CN(CC2CCCCC2O)S(=O)(=O)C1
InChIInChI=1S/C11H21NO3S/c1-9-6-12(16(14,15)8-9)7-10-4-2-3-5-11(10)13/h9-11,13H,2-8H2,1H3
InChIKeyMHCJFXSZHRMMFQ-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.82
Rot. Bonds2

About 2-[(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclohexan-1-ol

2-[(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclohexan-1-ol (PubChem CID 104549736) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is 2-[(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclohexan-1-ol
PubChem CID104549736
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name2-[(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclohexan-1-ol
SMILESCC1CN(CC2CCCCC2O)S(=O)(=O)C1
InChIInChI=1S/C11H21NO3S/c1-9-6-12(16(14,15)8-9)7-10-4-2-3-5-11(10)13/h9-11,13H,2-8H2,1H3
InChIKeyMHCJFXSZHRMMFQ-UHFFFAOYSA-N
XLogP0.82
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclohexan-1-ol with MolForge

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Related Compounds

[1-(Cyclohexylmethylsulfonyl)pyrrolidin-3-yl]methanol
CID 62371166
cis-(1S,2R)-2-(diethylaminomethyl)cyclohexan-1-ol;methanesulfonic acid
CID 88621074
2-(Diethylaminomethyl)cyclohexan-1-ol;methanesulfonic acid
CID 88621077
cis-(1R,2S)-2-(diethylaminomethyl)cyclohexan-1-ol;methanesulfonic acid
CID 88621078
[4-[(1,1-Dioxo-1,2-thiazolidin-2-yl)methyl]cyclohexyl]methanol
CID 135152307
[2-[[4-(Hydroxymethyl)cyclohexyl]methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]methanesulfonyl chloride
CID 166838882
8-(3-Methylbutylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 55260343
3-[1-(Cyclohexylmethylsulfonyl)pyrrolidin-2-yl]propan-1-ol
CID 62467761
2-[[(1,1-Dioxothiolan-3-yl)-methylamino]methyl]cyclohexan-1-ol
CID 62611462
1-(Cyclohexylmethylsulfonyl)pyrrolidin-3-ol
CID 62917296
8-(Cyclohexylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 63763529
(3S)-1-(cyclohexylmethylsulfonyl)pyrrolidin-3-ol
CID 64723774

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 2-[(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclohexan-1-ol (CID 104549736) is 2-[(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclohexan-1-ol is CC1CN(CC2CCCCC2O)S(=O)(=O)C1.
What is the InChIKey of 2-[(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclohexan-1-ol?
The InChIKey is MHCJFXSZHRMMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-9-6-12(16(14,15)8-9)7-10-4-2-3-5-11(10)13/h9-11,13H,2-8H2,1H3.
What are the key properties of 2-[(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclohexan-1-ol?
2-[(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclohexan-1-ol has a molecular weight of 247.36 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 104549736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).