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

C12H23NO3S — CID 104549479

IUPAC[4-methyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanol
SMILESCC1CCC(CO)(N2CC(C)CS2(=O)=O)CC1
InChIInChI=1S/C12H23NO3S/c1-10-3-5-12(9-14,6-4-10)13-7-11(2)8-17(13,15)16/h10-11,14H,3-9H2,1-2H3
InChIKeyDPEJDZANQWGACO-UHFFFAOYSA-N
MW261.39 g/mol
LogP1.21
Rot. Bonds2

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

[4-methyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanol (PubChem CID 104549479) has the molecular formula C12H23NO3S and a molecular weight of 261.39 g/mol. Its IUPAC name is [4-methyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanol.

Molecular Properties

Compound Name[4-methyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanol
PubChem CID104549479
Molecular FormulaC12H23NO3S
Molecular Weight261.39 g/mol
Exact Mass261.14
IUPAC Name[4-methyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanol
SMILESCC1CCC(CO)(N2CC(C)CS2(=O)=O)CC1
InChIInChI=1S/C12H23NO3S/c1-10-3-5-12(9-14,6-4-10)13-7-11(2)8-17(13,15)16/h10-11,14H,3-9H2,1-2H3
InChIKeyDPEJDZANQWGACO-UHFFFAOYSA-N
XLogP1.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanol?
The IUPAC name of [4-methyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanol (CID 104549479) is [4-methyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanol.
What is the SMILES notation for [4-methyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanol?
The canonical SMILES for [4-methyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanol is CC1CCC(CO)(N2CC(C)CS2(=O)=O)CC1.
What is the InChIKey of [4-methyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanol?
The InChIKey is DPEJDZANQWGACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3S/c1-10-3-5-12(9-14,6-4-10)13-7-11(2)8-17(13,15)16/h10-11,14H,3-9H2,1-2H3.
What are the key properties of [4-methyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanol?
[4-methyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanol has a molecular weight of 261.39 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanol is sourced from PubChem (CID 104549479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).