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

C12H23NO3S — CID 104550041

IUPAC1-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)(CN2CCCS2(=O)=O)CC1
InChIInChI=1S/C12H23NO3S/c1-2-11-4-6-12(14,7-5-11)10-13-8-3-9-17(13,15)16/h11,14H,2-10H2,1H3
InChIKeyLHNLCOITGFRPSR-UHFFFAOYSA-N
MW261.39 g/mol
LogP1.35
Rot. Bonds3

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

1-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-4-ethylcyclohexan-1-ol (PubChem CID 104550041) has the molecular formula C12H23NO3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-4-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-4-ethylcyclohexan-1-ol
PubChem CID104550041
Molecular FormulaC12H23NO3S
Molecular Weight261.39 g/mol
Exact Mass261.14
IUPAC Name1-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)(CN2CCCS2(=O)=O)CC1
InChIInChI=1S/C12H23NO3S/c1-2-11-4-6-12(14,7-5-11)10-13-8-3-9-17(13,15)16/h11,14H,2-10H2,1H3
InChIKeyLHNLCOITGFRPSR-UHFFFAOYSA-N
XLogP1.35
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-4-ethylcyclohexan-1-ol?
The IUPAC name of 1-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-4-ethylcyclohexan-1-ol (CID 104550041) is 1-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-4-ethylcyclohexan-1-ol.
What is the SMILES notation for 1-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-4-ethylcyclohexan-1-ol?
The canonical SMILES for 1-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-4-ethylcyclohexan-1-ol is CCC1CCC(O)(CN2CCCS2(=O)=O)CC1.
What is the InChIKey of 1-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-4-ethylcyclohexan-1-ol?
The InChIKey is LHNLCOITGFRPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3S/c1-2-11-4-6-12(14,7-5-11)10-13-8-3-9-17(13,15)16/h11,14H,2-10H2,1H3.
What are the key properties of 1-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-4-ethylcyclohexan-1-ol?
1-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-4-ethylcyclohexan-1-ol has a molecular weight of 261.39 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-4-ethylcyclohexan-1-ol is sourced from PubChem (CID 104550041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).