(2-methyl-[1]benzothiolo[2,3-b]pyridin-4-yl)-morpholin-4-ylmethanone

C17H16N2O2S — CID 134833711

IUPAC(2-methyl-[1]benzothiolo[2,3-b]pyridin-4-yl)-morpholin-4-ylmethanone
SMILESCc1cc(C(=O)N2CCOCC2)c2c(n1)sc1ccccc12
InChIInChI=1S/C17H16N2O2S/c1-11-10-13(17(20)19-6-8-21-9-7-19)15-12-4-2-3-5-14(12)22-16(15)18-11/h2-5,10H,6-9H2,1H3
InChIKeyCUVPJAJWKNVANJ-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.23
Rot. Bonds1

About (2-methyl-[1]benzothiolo[2,3-b]pyridin-4-yl)-morpholin-4-ylmethanone

(2-methyl-[1]benzothiolo[2,3-b]pyridin-4-yl)-morpholin-4-ylmethanone (PubChem CID 134833711) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is (2-methyl-[1]benzothiolo[2,3-b]pyridin-4-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(2-methyl-[1]benzothiolo[2,3-b]pyridin-4-yl)-morpholin-4-ylmethanone
PubChem CID134833711
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name(2-methyl-[1]benzothiolo[2,3-b]pyridin-4-yl)-morpholin-4-ylmethanone
SMILESCc1cc(C(=O)N2CCOCC2)c2c(n1)sc1ccccc12
InChIInChI=1S/C17H16N2O2S/c1-11-10-13(17(20)19-6-8-21-9-7-19)15-12-4-2-3-5-14(12)22-16(15)18-11/h2-5,10H,6-9H2,1H3
InChIKeyCUVPJAJWKNVANJ-UHFFFAOYSA-N
XLogP3.23
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-[1]benzothiolo[2,3-b]pyridin-4-yl)-morpholin-4-ylmethanone?
The IUPAC name of (2-methyl-[1]benzothiolo[2,3-b]pyridin-4-yl)-morpholin-4-ylmethanone (CID 134833711) is (2-methyl-[1]benzothiolo[2,3-b]pyridin-4-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (2-methyl-[1]benzothiolo[2,3-b]pyridin-4-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (2-methyl-[1]benzothiolo[2,3-b]pyridin-4-yl)-morpholin-4-ylmethanone is Cc1cc(C(=O)N2CCOCC2)c2c(n1)sc1ccccc12.
What is the InChIKey of (2-methyl-[1]benzothiolo[2,3-b]pyridin-4-yl)-morpholin-4-ylmethanone?
The InChIKey is CUVPJAJWKNVANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-11-10-13(17(20)19-6-8-21-9-7-19)15-12-4-2-3-5-14(12)22-16(15)18-11/h2-5,10H,6-9H2,1H3.
What are the key properties of (2-methyl-[1]benzothiolo[2,3-b]pyridin-4-yl)-morpholin-4-ylmethanone?
(2-methyl-[1]benzothiolo[2,3-b]pyridin-4-yl)-morpholin-4-ylmethanone has a molecular weight of 312.39 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-[1]benzothiolo[2,3-b]pyridin-4-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 134833711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).