(5R)-5-thiophen-3-yl-1,5-dihydrothieno[3,2-e][1,4]thiazepin-2-one

C11H9NOS3 — CID 95390454

IUPAC(5R)-5-thiophen-3-yl-1,5-dihydrothieno[3,2-e][1,4]thiazepin-2-one
SMILESO=C1CS[C@H](c2ccsc2)c2sccc2N1
InChIInChI=1S/C11H9NOS3/c13-9-6-16-10(7-1-3-14-5-7)11-8(12-9)2-4-15-11/h1-5,10H,6H2,(H,12,13)/t10-/m1/s1
InChIKeyICHYBWLUDOTZOV-SNVBAGLBSA-N
MW267.40 g/mol
LogP3.58
Rot. Bonds1

About (5R)-5-thiophen-3-yl-1,5-dihydrothieno[3,2-e][1,4]thiazepin-2-one

(5R)-5-thiophen-3-yl-1,5-dihydrothieno[3,2-e][1,4]thiazepin-2-one (PubChem CID 95390454) has the molecular formula C11H9NOS3 and a molecular weight of 267.40 g/mol. Its IUPAC name is (5R)-5-thiophen-3-yl-1,5-dihydrothieno[3,2-e][1,4]thiazepin-2-one.

Molecular Properties

Compound Name(5R)-5-thiophen-3-yl-1,5-dihydrothieno[3,2-e][1,4]thiazepin-2-one
PubChem CID95390454
Molecular FormulaC11H9NOS3
Molecular Weight267.40 g/mol
Exact Mass266.98
IUPAC Name(5R)-5-thiophen-3-yl-1,5-dihydrothieno[3,2-e][1,4]thiazepin-2-one
SMILESO=C1CS[C@H](c2ccsc2)c2sccc2N1
InChIInChI=1S/C11H9NOS3/c13-9-6-16-10(7-1-3-14-5-7)11-8(12-9)2-4-15-11/h1-5,10H,6H2,(H,12,13)/t10-/m1/s1
InChIKeyICHYBWLUDOTZOV-SNVBAGLBSA-N
XLogP3.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5R)-5-thiophen-3-yl-1,5-dihydrothieno[3,2-e][1,4]thiazepin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7S)-7-thiophen-3-yl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42553733
5-(4-methylsulfanylphenyl)-1,5-dihydrothieno[3,2-e][1,4]thiazepin-2-one
CID 53369857
(5R)-5-(1,3-benzodioxol-5-yl)-1,5-dihydrothieno[3,2-e][1,4]thiazepin-2-one
CID 95389686
methyl 4-[(5R)-2-oxo-1,5-dihydrothieno[3,2-e][1,4]thiazepin-5-yl]benzoate
CID 95390408
methyl 4-[(5S)-2-oxo-1,5-dihydrothieno[3,2-e][1,4]thiazepin-5-yl]benzoate
CID 95390409
(5R)-5-(1,5-dimethylpyrazol-4-yl)-1,5-dihydrothieno[3,2-e][1,4]thiazepin-2-one
CID 95389574
(5R)-5-(3-methoxy-4-propan-2-yloxyphenyl)-1,5-dihydrothieno[3,2-e][1,4]thiazepin-2-one
CID 95389530
(5S)-5-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1,5-dihydrothieno[3,2-e][1,4]thiazepin-2-one
CID 95388855
3-methyl-1-phenyl-4-thiophen-3-yl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
CID 135889033
(4R)-1-cyclohexyl-4-thiophen-3-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
CID 96556683
(5S)-5-(6-chloro-4H-1,3-benzodioxin-8-yl)-1,5-dihydrothieno[3,2-e][1,4]thiazepin-2-one
CID 95390671
(7S)-7-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42559090

Frequently Asked Questions

What is the IUPAC name of (5R)-5-thiophen-3-yl-1,5-dihydrothieno[3,2-e][1,4]thiazepin-2-one?
The IUPAC name of (5R)-5-thiophen-3-yl-1,5-dihydrothieno[3,2-e][1,4]thiazepin-2-one (CID 95390454) is (5R)-5-thiophen-3-yl-1,5-dihydrothieno[3,2-e][1,4]thiazepin-2-one.
What is the SMILES notation for (5R)-5-thiophen-3-yl-1,5-dihydrothieno[3,2-e][1,4]thiazepin-2-one?
The canonical SMILES for (5R)-5-thiophen-3-yl-1,5-dihydrothieno[3,2-e][1,4]thiazepin-2-one is O=C1CS[C@H](c2ccsc2)c2sccc2N1.
What is the InChIKey of (5R)-5-thiophen-3-yl-1,5-dihydrothieno[3,2-e][1,4]thiazepin-2-one?
The InChIKey is ICHYBWLUDOTZOV-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H9NOS3/c13-9-6-16-10(7-1-3-14-5-7)11-8(12-9)2-4-15-11/h1-5,10H,6H2,(H,12,13)/t10-/m1/s1.
What are the key properties of (5R)-5-thiophen-3-yl-1,5-dihydrothieno[3,2-e][1,4]thiazepin-2-one?
(5R)-5-thiophen-3-yl-1,5-dihydrothieno[3,2-e][1,4]thiazepin-2-one has a molecular weight of 267.40 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-thiophen-3-yl-1,5-dihydrothieno[3,2-e][1,4]thiazepin-2-one is sourced from PubChem (CID 95390454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).