[1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanol

C11H21NO3S — CID 104549445

IUPAC[1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanol
SMILESCC1CN(C2(CO)CCCCC2)S(=O)(=O)C1
InChIInChI=1S/C11H21NO3S/c1-10-7-12(16(14,15)8-10)11(9-13)5-3-2-4-6-11/h10,13H,2-9H2,1H3
InChIKeyHRQQGXGIMUWXIR-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.96
Rot. Bonds2

About [1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanol

[1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanol (PubChem CID 104549445) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is [1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanol
PubChem CID104549445
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name[1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanol
SMILESCC1CN(C2(CO)CCCCC2)S(=O)(=O)C1
InChIInChI=1S/C11H21NO3S/c1-10-7-12(16(14,15)8-10)11(9-13)5-3-2-4-6-11/h10,13H,2-9H2,1H3
InChIKeyHRQQGXGIMUWXIR-UHFFFAOYSA-N
XLogP0.96
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 ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(1,1-Dioxo-1,2-thiazolidin-2-yl)methyl]cyclohexyl]methanol
CID 135152307
[4-(1,1-Dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanol
CID 135173595
[2-[[4-(Hydroxymethyl)cyclohexyl]methyl]-1,1-dioxo-1,2-thiazolidin-3-yl]methanesulfonyl chloride
CID 155140394
[2-[[4-(Hydroxymethyl)cyclohexyl]methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]methanesulfonyl chloride
CID 166838882
[1-(Cyclohexylmethylsulfonyl)piperidin-2-yl]methanol
CID 54947420
[1-(Cyclohexylmethylsulfonyl)pyrrolidin-2-yl]methanol
CID 54947577
3-[1-(3-Methylbutylsulfonyl)pyrrolidin-2-yl]propan-1-ol
CID 55260341
[(2S)-1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]methanol
CID 56794304
3-[1-(Cyclohexylmethylsulfonyl)pyrrolidin-2-yl]propan-1-ol
CID 62467761
[(2R)-1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]methanol
CID 64722955
1-[1-(Cyclohexylmethylsulfonyl)pyrrolidin-2-yl]propan-2-ol
CID 79546898
2-(1-Propylsulfonylpyrrolidin-2-yl)cyclohexan-1-ol
CID 79549131

Frequently Asked Questions

What is the IUPAC name of [1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanol?
The IUPAC name of [1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanol (CID 104549445) is [1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanol.
What is the SMILES notation for [1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanol?
The canonical SMILES for [1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanol is CC1CN(C2(CO)CCCCC2)S(=O)(=O)C1.
What is the InChIKey of [1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanol?
The InChIKey is HRQQGXGIMUWXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-10-7-12(16(14,15)8-10)11(9-13)5-3-2-4-6-11/h10,13H,2-9H2,1H3.
What are the key properties of [1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanol?
[1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanol has a molecular weight of 247.36 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanol is sourced from PubChem (CID 104549445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).