(3-aminothieno[3,2-b]pyridin-2-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone

C13H15N3O2S — CID 112629406

IUPAC(3-aminothieno[3,2-b]pyridin-2-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESNc1c(C(=O)N2CCC(CO)C2)sc2cccnc12
InChIInChI=1S/C13H15N3O2S/c14-10-11-9(2-1-4-15-11)19-12(10)13(18)16-5-3-8(6-16)7-17/h1-2,4,8,17H,3,5-7,14H2
InChIKeyOYPZMYBQFKOTPH-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.33
Rot. Bonds2

About (3-aminothieno[3,2-b]pyridin-2-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone

(3-aminothieno[3,2-b]pyridin-2-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 112629406) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is (3-aminothieno[3,2-b]pyridin-2-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-aminothieno[3,2-b]pyridin-2-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
PubChem CID112629406
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name(3-aminothieno[3,2-b]pyridin-2-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESNc1c(C(=O)N2CCC(CO)C2)sc2cccnc12
InChIInChI=1S/C13H15N3O2S/c14-10-11-9(2-1-4-15-11)19-12(10)13(18)16-5-3-8(6-16)7-17/h1-2,4,8,17H,3,5-7,14H2
InChIKeyOYPZMYBQFKOTPH-UHFFFAOYSA-N
XLogP1.33
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3-aminothieno[3,2-b]pyridin-2-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 104961431
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(2-chloro-3-pyridinyl)-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 97169687
(3-amino-4-fluoro-1-benzothiophen-2-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
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(3-amino-4-bromo-1-benzothiophen-2-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 114888933
4-(3-aminothieno[3,2-b]pyridine-2-carbonyl)-1-methyl-1,4-diazepan-2-one
CID 102893030
(3-amino-4-bromo-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
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(3-aminothieno[3,2-b]pyridin-2-yl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114597600
(6-amino-3-pyridinyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112628622
[2-(ethylamino)-3-pyridinyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112628604
(3-amino-5-methyl-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 107932212
[3-(hydroxymethyl)pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of (3-aminothieno[3,2-b]pyridin-2-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3-aminothieno[3,2-b]pyridin-2-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone (CID 112629406) is (3-aminothieno[3,2-b]pyridin-2-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-aminothieno[3,2-b]pyridin-2-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-aminothieno[3,2-b]pyridin-2-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone is Nc1c(C(=O)N2CCC(CO)C2)sc2cccnc12.
What is the InChIKey of (3-aminothieno[3,2-b]pyridin-2-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is OYPZMYBQFKOTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c14-10-11-9(2-1-4-15-11)19-12(10)13(18)16-5-3-8(6-16)7-17/h1-2,4,8,17H,3,5-7,14H2.
What are the key properties of (3-aminothieno[3,2-b]pyridin-2-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
(3-aminothieno[3,2-b]pyridin-2-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 277.35 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminothieno[3,2-b]pyridin-2-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 112629406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).