(1S)-1-[2-(1,1-dioxothiolan-3-yl)-4-methylpyrimidin-5-yl]ethanol

C11H16N2O3S — CID 103431589

IUPAC(1S)-1-[2-(1,1-dioxothiolan-3-yl)-4-methylpyrimidin-5-yl]ethanol
SMILESCc1nc(C2CCS(=O)(=O)C2)ncc1[C@H](C)O
InChIInChI=1S/C11H16N2O3S/c1-7-10(8(2)14)5-12-11(13-7)9-3-4-17(15,16)6-9/h5,8-9,14H,3-4,6H2,1-2H3/t8-,9?/m0/s1
InChIKeyDXTMLPUWJLVYCJ-IENPIDJESA-N
MW256.33 g/mol
LogP0.74
Rot. Bonds2

About (1S)-1-[2-(1,1-dioxothiolan-3-yl)-4-methylpyrimidin-5-yl]ethanol

(1S)-1-[2-(1,1-dioxothiolan-3-yl)-4-methylpyrimidin-5-yl]ethanol (PubChem CID 103431589) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is (1S)-1-[2-(1,1-dioxothiolan-3-yl)-4-methylpyrimidin-5-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(1,1-dioxothiolan-3-yl)-4-methylpyrimidin-5-yl]ethanol
PubChem CID103431589
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name(1S)-1-[2-(1,1-dioxothiolan-3-yl)-4-methylpyrimidin-5-yl]ethanol
SMILESCc1nc(C2CCS(=O)(=O)C2)ncc1[C@H](C)O
InChIInChI=1S/C11H16N2O3S/c1-7-10(8(2)14)5-12-11(13-7)9-3-4-17(15,16)6-9/h5,8-9,14H,3-4,6H2,1-2H3/t8-,9?/m0/s1
InChIKeyDXTMLPUWJLVYCJ-IENPIDJESA-N
XLogP0.74
TPSA80.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-Dimethylpyrimidin-5-yl)ethan-1-ol
CID 54772446
1-[4-Methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethyl methanesulfonate
CID 135316716
[2-(1-Methylsulfonylethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol
CID 114204985
[2-(Thiolan-2-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol
CID 114204993
[2-(Methylsulfonylmethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol
CID 114205005
[4-(Difluoromethyl)-2-(1-methylsulfonylethyl)pyrimidin-5-yl]methanol
CID 114205167
[4-(Difluoromethyl)-2-(1,1-dioxothiolan-3-yl)pyrimidin-5-yl]methanol
CID 114205171
1-(4-Methyl-2-(methylthio)pyrimidin-5-yl)ethan-1-ol
CID 58722237
(1R)-1-(2,4-dimethylpyrimidin-5-yl)ethanol
CID 94587729
1-[4-Methyl-2-(2-methylpropyl)pyrimidin-5-yl]ethanol
CID 62769433
1-(2-Tert-butyl-4-methylpyrimidin-5-yl)ethanol
CID 62769612
1-(4-Methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)ethanol
CID 62769787

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(1,1-dioxothiolan-3-yl)-4-methylpyrimidin-5-yl]ethanol?
The IUPAC name of (1S)-1-[2-(1,1-dioxothiolan-3-yl)-4-methylpyrimidin-5-yl]ethanol (CID 103431589) is (1S)-1-[2-(1,1-dioxothiolan-3-yl)-4-methylpyrimidin-5-yl]ethanol.
What is the SMILES notation for (1S)-1-[2-(1,1-dioxothiolan-3-yl)-4-methylpyrimidin-5-yl]ethanol?
The canonical SMILES for (1S)-1-[2-(1,1-dioxothiolan-3-yl)-4-methylpyrimidin-5-yl]ethanol is Cc1nc(C2CCS(=O)(=O)C2)ncc1[C@H](C)O.
What is the InChIKey of (1S)-1-[2-(1,1-dioxothiolan-3-yl)-4-methylpyrimidin-5-yl]ethanol?
The InChIKey is DXTMLPUWJLVYCJ-IENPIDJESA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-7-10(8(2)14)5-12-11(13-7)9-3-4-17(15,16)6-9/h5,8-9,14H,3-4,6H2,1-2H3/t8-,9?/m0/s1.
What are the key properties of (1S)-1-[2-(1,1-dioxothiolan-3-yl)-4-methylpyrimidin-5-yl]ethanol?
(1S)-1-[2-(1,1-dioxothiolan-3-yl)-4-methylpyrimidin-5-yl]ethanol has a molecular weight of 256.33 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(1,1-dioxothiolan-3-yl)-4-methylpyrimidin-5-yl]ethanol is sourced from PubChem (CID 103431589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).