2,3,4,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-c]pyridin-5-one

C11H13NOS — CID 67466413

IUPAC2,3,4,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-c]pyridin-5-one
SMILESO=C1CCCc2sc3c(c21)CCNC3
InChIInChI=1S/C11H13NOS/c13-8-2-1-3-9-11(8)7-4-5-12-6-10(7)14-9/h12H,1-6H2
InChIKeySFAZFCKEHFCVAL-UHFFFAOYSA-N
MW207.30 g/mol
LogP1.91
Rot. Bonds

About 2,3,4,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-c]pyridin-5-one

2,3,4,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-c]pyridin-5-one (PubChem CID 67466413) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is 2,3,4,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-c]pyridin-5-one.

Molecular Properties

Compound Name2,3,4,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-c]pyridin-5-one
PubChem CID67466413
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name2,3,4,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-c]pyridin-5-one
SMILESO=C1CCCc2sc3c(c21)CCNC3
InChIInChI=1S/C11H13NOS/c13-8-2-1-3-9-11(8)7-4-5-12-6-10(7)14-9/h12H,1-6H2
InChIKeySFAZFCKEHFCVAL-UHFFFAOYSA-N
XLogP1.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5,6,7-tetrahydro-[1,2]thiazolo[5,4-c]pyridin-3-one;hydrochloride
CID 122360514
8-thia-10,15-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10-trien-3-one
CID 618838
2-(2,3-dioxoaziridin-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid
CID 101372178
3-methyl-2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
CID 89159795
ethane;3-methyl-2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
CID 143138018
methyl 2-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
CID 90396396
N-[3-(1H-indol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide
CID 46925876
2-(methylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
CID 70843901
methyl 2-(2,5-dioxopyrrolidin-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
CID 61354175
ethyl 3-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxylate
CID 67523689
8-methyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine
CID 83398136
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile
CID 61353572

Frequently Asked Questions

What is the IUPAC name of 2,3,4,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-c]pyridin-5-one?
The IUPAC name of 2,3,4,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-c]pyridin-5-one (CID 67466413) is 2,3,4,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-c]pyridin-5-one.
What is the SMILES notation for 2,3,4,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-c]pyridin-5-one?
The canonical SMILES for 2,3,4,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-c]pyridin-5-one is O=C1CCCc2sc3c(c21)CCNC3.
What is the InChIKey of 2,3,4,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-c]pyridin-5-one?
The InChIKey is SFAZFCKEHFCVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c13-8-2-1-3-9-11(8)7-4-5-12-6-10(7)14-9/h12H,1-6H2.
What are the key properties of 2,3,4,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-c]pyridin-5-one?
2,3,4,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-c]pyridin-5-one has a molecular weight of 207.30 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-c]pyridin-5-one is sourced from PubChem (CID 67466413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).