(2-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl)-morpholin-4-ylmethanone

C16H19N3O2S — CID 767483

IUPAC(2-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl)-morpholin-4-ylmethanone
SMILESNc1nc2sc3c(c2cc1C(=O)N1CCOCC1)CCCC3
InChIInChI=1S/C16H19N3O2S/c17-14-12(16(20)19-5-7-21-8-6-19)9-11-10-3-1-2-4-13(10)22-15(11)18-14/h9H,1-8H2,(H2,17,18)
InChIKeyYKFHNXSNIOSLPQ-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.23
Rot. Bonds1

About (2-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl)-morpholin-4-ylmethanone

(2-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl)-morpholin-4-ylmethanone (PubChem CID 767483) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is (2-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(2-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl)-morpholin-4-ylmethanone
PubChem CID767483
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name(2-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl)-morpholin-4-ylmethanone
SMILESNc1nc2sc3c(c2cc1C(=O)N1CCOCC1)CCCC3
InChIInChI=1S/C16H19N3O2S/c17-14-12(16(20)19-5-7-21-8-6-19)9-11-10-3-1-2-4-13(10)22-15(11)18-14/h9H,1-8H2,(H2,17,18)
InChIKeyYKFHNXSNIOSLPQ-UHFFFAOYSA-N
XLogP2.23
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl)-morpholin-4-ylmethanone?
The IUPAC name of (2-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl)-morpholin-4-ylmethanone (CID 767483) is (2-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (2-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (2-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl)-morpholin-4-ylmethanone is Nc1nc2sc3c(c2cc1C(=O)N1CCOCC1)CCCC3.
What is the InChIKey of (2-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl)-morpholin-4-ylmethanone?
The InChIKey is YKFHNXSNIOSLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c17-14-12(16(20)19-5-7-21-8-6-19)9-11-10-3-1-2-4-13(10)22-15(11)18-14/h9H,1-8H2,(H2,17,18).
What are the key properties of (2-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl)-morpholin-4-ylmethanone?
(2-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl)-morpholin-4-ylmethanone has a molecular weight of 317.41 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 767483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).