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

C11H21NO3S — CID 104549905

IUPAC1-[(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclohexan-1-ol
SMILESCC1CN(CC2(O)CCCCC2)S(=O)(=O)C1
InChIInChI=1S/C11H21NO3S/c1-10-7-12(16(14,15)8-10)9-11(13)5-3-2-4-6-11/h10,13H,2-9H2,1H3
InChIKeyQEIUZSSUYHPXFG-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.96
Rot. Bonds2

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

1-[(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclohexan-1-ol (PubChem CID 104549905) 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)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclohexan-1-ol
PubChem CID104549905
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name1-[(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclohexan-1-ol
SMILESCC1CN(CC2(O)CCCCC2)S(=O)(=O)C1
InChIInChI=1S/C11H21NO3S/c1-10-7-12(16(14,15)8-10)9-11(13)5-3-2-4-6-11/h10,13H,2-9H2,1H3
InChIKeyQEIUZSSUYHPXFG-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

3-[(3R*,4R*)-3-cyclobutyl-3-hydroxy-4-methyl-1-pyrrolidinyl]-N,N-dimethyl-1-propanesulfonamide
CID 72848637
(3R*,4R*)-3-isopropyl-1-(isopropylsulfonyl)-4-methyl-3-pyrrolidinol
CID 72882368
1-(Cyclohexylmethylsulfonyl)-3-methylpyrrolidin-3-ol
CID 103871356
1-[[(1,1-Dioxothiolan-3-yl)-methylamino]methyl]cyclohexan-1-ol
CID 61518781
1-(Cyclohexylmethylsulfonyl)-3-propylazetidin-3-ol
CID 65930828
1-cyclohexyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide
CID 79387330
1-[1-(Cyclohexylmethylsulfonyl)pyrrolidin-2-yl]propan-2-ol
CID 79546898
1-Cyclohexylsulfonyl-3-methylpyrrolidin-3-ol
CID 103871359
[1-(4-Methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanol
CID 104549445
2-[(4-Methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclohexan-1-ol
CID 104549736
3-[(4-Methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]pentan-3-ol
CID 104549861
1-[(4-Methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclopentan-1-ol
CID 104549885

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclohexan-1-ol (CID 104549905) is 1-[(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclohexan-1-ol is CC1CN(CC2(O)CCCCC2)S(=O)(=O)C1.
What is the InChIKey of 1-[(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclohexan-1-ol?
The InChIKey is QEIUZSSUYHPXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-10-7-12(16(14,15)8-10)9-11(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)methyl]cyclohexan-1-ol?
1-[(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 0.96, 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)methyl]cyclohexan-1-ol is sourced from PubChem (CID 104549905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).