1-cyclopropyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethanol

C9H17NO3S — CID 104549603

IUPAC1-cyclopropyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethanol
SMILESCC1CN(CC(O)C2CC2)S(=O)(=O)C1
InChIInChI=1S/C9H17NO3S/c1-7-4-10(14(12,13)6-7)5-9(11)8-2-3-8/h7-9,11H,2-6H2,1H3
InChIKeyZIIUCNXWMIQDJJ-UHFFFAOYSA-N
MW219.31 g/mol
LogP0.04
Rot. Bonds3

About 1-cyclopropyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethanol

1-cyclopropyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethanol (PubChem CID 104549603) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 1-cyclopropyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethanol
PubChem CID104549603
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC Name1-cyclopropyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethanol
SMILESCC1CN(CC(O)C2CC2)S(=O)(=O)C1
InChIInChI=1S/C9H17NO3S/c1-7-4-10(14(12,13)6-7)5-9(11)8-2-3-8/h7-9,11H,2-6H2,1H3
InChIKeyZIIUCNXWMIQDJJ-UHFFFAOYSA-N
XLogP0.04
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-4-fluoro-1-(2-methylpropylsulfonyl)pyrrolidin-3-ol
CID 160114144
(3S,4S)-4-fluoro-1-(2-methylpropylsulfonyl)pyrrolidin-3-ol
CID 161168448
1-Tert-butylsulfonyl-5-methylpyrrolidin-3-ol
CID 68353252
3-(7-Hydroxy-5-azaspiro[2.4]heptane-5-yl)propylmethanesulfonate
CID 86645607
1-Tert-butylsulfonyl-5,5-dimethylpyrrolidin-3-ol
CID 115275347
1-Ethylsulfonyl-4-propan-2-ylpyrrolidin-3-ol
CID 145766796
1-[(1-Methylcyclopropyl)methylsulfonyl]pyrrolidin-3-ol
CID 163670901
1-Methylsulfonyl-4-propan-2-ylpyrrolidin-3-ol
CID 177109205
1-(3-Methylbutylsulfonyl)piperidin-3-ol
CID 63856067
[1-(3-Methylbutylsulfonyl)pyrrolidin-2-yl]methanol
CID 63856789
1-(3-Methylbutylsulfonyl)pyrrolidin-3-ol
CID 63857865
[1-(2-Methylpropylsulfonyl)pyrrolidin-2-yl]methanol
CID 64476989

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethanol?
The IUPAC name of 1-cyclopropyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethanol (CID 104549603) is 1-cyclopropyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethanol.
What is the SMILES notation for 1-cyclopropyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethanol?
The canonical SMILES for 1-cyclopropyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethanol is CC1CN(CC(O)C2CC2)S(=O)(=O)C1.
What is the InChIKey of 1-cyclopropyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethanol?
The InChIKey is ZIIUCNXWMIQDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3S/c1-7-4-10(14(12,13)6-7)5-9(11)8-2-3-8/h7-9,11H,2-6H2,1H3.
What are the key properties of 1-cyclopropyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethanol?
1-cyclopropyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethanol has a molecular weight of 219.31 g/mol, XLogP of 0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethanol is sourced from PubChem (CID 104549603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).