1-(1,1-dioxothiolan-3-yl)-2-pyridin-2-ylpropan-1-ol

C12H17NO3S — CID 66460317

IUPAC1-(1,1-dioxothiolan-3-yl)-2-pyridin-2-ylpropan-1-ol
SMILESCC(c1ccccn1)C(O)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H17NO3S/c1-9(11-4-2-3-6-13-11)12(14)10-5-7-17(15,16)8-10/h2-4,6,9-10,12,14H,5,7-8H2,1H3
InChIKeyGCYGWHFDGPIMNX-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.98
Rot. Bonds3

About 1-(1,1-dioxothiolan-3-yl)-2-pyridin-2-ylpropan-1-ol

1-(1,1-dioxothiolan-3-yl)-2-pyridin-2-ylpropan-1-ol (PubChem CID 66460317) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-2-pyridin-2-ylpropan-1-ol.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-2-pyridin-2-ylpropan-1-ol
PubChem CID66460317
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name1-(1,1-dioxothiolan-3-yl)-2-pyridin-2-ylpropan-1-ol
SMILESCC(c1ccccn1)C(O)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H17NO3S/c1-9(11-4-2-3-6-13-11)12(14)10-5-7-17(15,16)8-10/h2-4,6,9-10,12,14H,5,7-8H2,1H3
InChIKeyGCYGWHFDGPIMNX-UHFFFAOYSA-N
XLogP0.98
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,1-dioxothiolan-3-yl)-N-ethyl-2-pyridin-2-ylpropan-1-amine
CID 66446243
(3R)-1,1-dioxo-N-[(1S)-1-pyridin-2-ylethyl]thiolane-3-carboxamide
CID 39996283
1-[(3S)-1,1-dioxothiolan-3-yl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 94148998
1,1-dioxo-N-(1-pyridin-2-ylethyl)thian-4-amine
CID 43511597
2-(1,1-dioxothian-4-yl)-N-methyl-2-pyridin-2-ylethanamine
CID 116821405
1-[(3S)-1,1-dioxothiolan-3-yl]-1-methyl-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 97089176
2-[(2R)-3-methylbutan-2-yl]pyridine
CID 26793118
[1-(1,1-dioxothiolan-3-yl)-2-pyridin-2-ylethyl]hydrazine
CID 105258767
1-(1,1-dioxothiolan-3-yl)-2-(3-methyl-2-pyridinyl)ethanol
CID 66461707
1-(oxolan-2-yl)-2-pyridin-2-ylpropan-1-ol
CID 66459307
2-(1-bromo-2-pyridin-2-ylpropyl)thiane 1,1-dioxide
CID 104522968
2-amino-1-cyclopropyl-2-pyridin-2-ylethanol
CID 82409953

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-2-pyridin-2-ylpropan-1-ol?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-2-pyridin-2-ylpropan-1-ol (CID 66460317) is 1-(1,1-dioxothiolan-3-yl)-2-pyridin-2-ylpropan-1-ol.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-2-pyridin-2-ylpropan-1-ol?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-2-pyridin-2-ylpropan-1-ol is CC(c1ccccn1)C(O)C1CCS(=O)(=O)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-2-pyridin-2-ylpropan-1-ol?
The InChIKey is GCYGWHFDGPIMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-9(11-4-2-3-6-13-11)12(14)10-5-7-17(15,16)8-10/h2-4,6,9-10,12,14H,5,7-8H2,1H3.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-2-pyridin-2-ylpropan-1-ol?
1-(1,1-dioxothiolan-3-yl)-2-pyridin-2-ylpropan-1-ol has a molecular weight of 255.34 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-2-pyridin-2-ylpropan-1-ol is sourced from PubChem (CID 66460317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).