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

C10H19NO3S — CID 104549125

IUPAC4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexan-1-ol
SMILESCC1CN(C2CCC(O)CC2)S(=O)(=O)C1
InChIInChI=1S/C10H19NO3S/c1-8-6-11(15(13,14)7-8)9-2-4-10(12)5-3-9/h8-10,12H,2-7H2,1H3
InChIKeyMBTUMCYCPQKHLO-UHFFFAOYSA-N
MW233.33 g/mol
LogP0.57
Rot. Bonds1

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

4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexan-1-ol (PubChem CID 104549125) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is 4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexan-1-ol
PubChem CID104549125
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexan-1-ol
SMILESCC1CN(C2CCC(O)CC2)S(=O)(=O)C1
InChIInChI=1S/C10H19NO3S/c1-8-6-11(15(13,14)7-8)9-2-4-10(12)5-3-9/h8-10,12H,2-7H2,1H3
InChIKeyMBTUMCYCPQKHLO-UHFFFAOYSA-N
XLogP0.57
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxycyclohexyl)-N-methylmethanesulfonamide
CID 71189096
4-Pyrrolidin-1-ylsulfonylcyclohexan-1-ol
CID 168963956
4-(1,1-Dioxo-1,3-thiazolidin-3-yl)cyclohexan-1-ol
CID 176696804
N-(4-hydroxycyclohexyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 54973992
3-[1-(3-Methylbutylsulfonyl)pyrrolidin-2-yl]propan-1-ol
CID 55260341
3-(1-Propylsulfonylpyrrolidin-2-yl)propan-1-ol
CID 62466694
3-(1-Propan-2-ylsulfonylpyrrolidin-2-yl)propan-1-ol
CID 62466870
3-(1-Butylsulfonylpyrrolidin-2-yl)propan-1-ol
CID 62466873
3-(1-Ethylsulfonylpyrrolidin-2-yl)propan-1-ol
CID 62467048
3-(1-Cyclohexylsulfonylpyrrolidin-2-yl)propan-1-ol
CID 62467406
3-[1-(Cyclohexylmethylsulfonyl)pyrrolidin-2-yl]propan-1-ol
CID 62467761
8-(2-Methylpropylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 64476991

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexan-1-ol?
The IUPAC name of 4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexan-1-ol (CID 104549125) is 4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexan-1-ol?
The canonical SMILES for 4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexan-1-ol is CC1CN(C2CCC(O)CC2)S(=O)(=O)C1.
What is the InChIKey of 4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexan-1-ol?
The InChIKey is MBTUMCYCPQKHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-8-6-11(15(13,14)7-8)9-2-4-10(12)5-3-9/h8-10,12H,2-7H2,1H3.
What are the key properties of 4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexan-1-ol?
4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexan-1-ol has a molecular weight of 233.33 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 104549125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).