4-(1,1-dioxo-1,3-thiazolidin-3-yl)cyclohexan-1-ol

C9H17NO3S — CID 176696804

IUPAC4-(1,1-dioxo-1,3-thiazolidin-3-yl)cyclohexan-1-ol
SMILESO=S1(=O)CCN(C2CCC(O)CC2)C1
InChIInChI=1S/C9H17NO3S/c11-9-3-1-8(2-4-9)10-5-6-14(12,13)7-10/h8-9,11H,1-7H2
InChIKeyIZIRJCRVOJRYFF-UHFFFAOYSA-N
MW219.31 g/mol
LogP-0.02
Rot. Bonds1

About 4-(1,1-dioxo-1,3-thiazolidin-3-yl)cyclohexan-1-ol

4-(1,1-dioxo-1,3-thiazolidin-3-yl)cyclohexan-1-ol (PubChem CID 176696804) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,3-thiazolidin-3-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(1,1-dioxo-1,3-thiazolidin-3-yl)cyclohexan-1-ol
PubChem CID176696804
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC Name4-(1,1-dioxo-1,3-thiazolidin-3-yl)cyclohexan-1-ol
SMILESO=S1(=O)CCN(C2CCC(O)CC2)C1
InChIInChI=1S/C9H17NO3S/c11-9-3-1-8(2-4-9)10-5-6-14(12,13)7-10/h8-9,11H,1-7H2
InChIKeyIZIRJCRVOJRYFF-UHFFFAOYSA-N
XLogP-0.02
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,1-Dioxo-1,4-thiazinan-4-yl)cyclohexan-1-ol
CID 104549120
3-[1-(3-Methylsulfonylcyclohexyl)pyrrolidin-2-yl]propan-1-ol
CID 80071170
4-(1,1-Dioxo-1,2-thiazolidin-2-yl)cyclohexan-1-ol
CID 83822180
4-[(1,1-Dioxothiolan-3-yl)-methylamino]cyclohexan-1-ol
CID 84163583
4-(4-Methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexan-1-ol
CID 104549125
4-(1,1-Dioxo-1,4-thiazepan-4-yl)cyclohexan-1-ol
CID 105565324
4-(3-Methylsulfonylthiomorpholin-4-yl)cyclohexan-1-ol
CID 113630404
4-(3-Ethylsulfonylthiomorpholin-4-yl)cyclohexan-1-ol
CID 114762631
4-[Methyl(2-methylsulfonylethyl)amino]cyclohexan-1-ol
CID 114762645
1-[1-(2-Methylsulfonylethyl)pyrrolidin-2-yl]propan-2-ol
CID 115758817
1-[1-(3-Methylsulfonylcyclohexyl)pyrrolidin-2-yl]propan-2-ol
CID 115937381

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,3-thiazolidin-3-yl)cyclohexan-1-ol?
The IUPAC name of 4-(1,1-dioxo-1,3-thiazolidin-3-yl)cyclohexan-1-ol (CID 176696804) is 4-(1,1-dioxo-1,3-thiazolidin-3-yl)cyclohexan-1-ol.
What is the SMILES notation for 4-(1,1-dioxo-1,3-thiazolidin-3-yl)cyclohexan-1-ol?
The canonical SMILES for 4-(1,1-dioxo-1,3-thiazolidin-3-yl)cyclohexan-1-ol is O=S1(=O)CCN(C2CCC(O)CC2)C1.
What is the InChIKey of 4-(1,1-dioxo-1,3-thiazolidin-3-yl)cyclohexan-1-ol?
The InChIKey is IZIRJCRVOJRYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3S/c11-9-3-1-8(2-4-9)10-5-6-14(12,13)7-10/h8-9,11H,1-7H2.
What are the key properties of 4-(1,1-dioxo-1,3-thiazolidin-3-yl)cyclohexan-1-ol?
4-(1,1-dioxo-1,3-thiazolidin-3-yl)cyclohexan-1-ol has a molecular weight of 219.31 g/mol, XLogP of -0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-1,3-thiazolidin-3-yl)cyclohexan-1-ol is sourced from PubChem (CID 176696804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).