[3-(1,1-dioxothian-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol

C13H20N2O3S — CID 117149523

IUPAC[3-(1,1-dioxothian-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol
SMILESO=S1(=O)CCCC(c2ncc3n2C(CO)CCC3)C1
InChIInChI=1S/C13H20N2O3S/c16-8-12-5-1-4-11-7-14-13(15(11)12)10-3-2-6-19(17,18)9-10/h7,10,12,16H,1-6,8-9H2
InChIKeyMIXIUIMDZPSTQA-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.04
Rot. Bonds2

About [3-(1,1-dioxothian-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol

[3-(1,1-dioxothian-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol (PubChem CID 117149523) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is [3-(1,1-dioxothian-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol.

Molecular Properties

Compound Name[3-(1,1-dioxothian-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol
PubChem CID117149523
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name[3-(1,1-dioxothian-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol
SMILESO=S1(=O)CCCC(c2ncc3n2C(CO)CCC3)C1
InChIInChI=1S/C13H20N2O3S/c16-8-12-5-1-4-11-7-14-13(15(11)12)10-3-2-6-19(17,18)9-10/h7,10,12,16H,1-6,8-9H2
InChIKeyMIXIUIMDZPSTQA-UHFFFAOYSA-N
XLogP1.04
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(1,1-dioxothian-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol with MolForge

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Related Compounds

[3-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol
CID 117149495
[3-(1-propan-2-ylpiperidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol
CID 117149532
(3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)methanamine
CID 83829886
[3-(1-propan-2-ylpyrrolidin-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol
CID 117149546
[3-[(1,1-dioxothian-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanol
CID 117149594
3-(1,1-dioxothian-3-yl)imidazo[1,5-a]pyridine-5-carboxylic acid
CID 117142556
3-cyclobutyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid
CID 83837680
[3-(1,1-dioxothian-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanol
CID 117149482
3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carbaldehyde
CID 83829529
[3-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol
CID 117149714
[3-(oxan-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol
CID 117149507
[3-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol
CID 117149733

Frequently Asked Questions

What is the IUPAC name of [3-(1,1-dioxothian-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol?
The IUPAC name of [3-(1,1-dioxothian-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol (CID 117149523) is [3-(1,1-dioxothian-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol.
What is the SMILES notation for [3-(1,1-dioxothian-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol?
The canonical SMILES for [3-(1,1-dioxothian-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol is O=S1(=O)CCCC(c2ncc3n2C(CO)CCC3)C1.
What is the InChIKey of [3-(1,1-dioxothian-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol?
The InChIKey is MIXIUIMDZPSTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c16-8-12-5-1-4-11-7-14-13(15(11)12)10-3-2-6-19(17,18)9-10/h7,10,12,16H,1-6,8-9H2.
What are the key properties of [3-(1,1-dioxothian-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol?
[3-(1,1-dioxothian-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol has a molecular weight of 284.38 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,1-dioxothian-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol is sourced from PubChem (CID 117149523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).