[(3S)-1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone

C15H16N4O3S — CID 97197802

IUPAC[(3S)-1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESO=C([C@@H]1Cc2ccccc2S(=O)(=O)N1)N1CCc2nc[nH]c2C1
InChIInChI=1S/C15H16N4O3S/c20-15(19-6-5-11-13(8-19)17-9-16-11)12-7-10-3-1-2-4-14(10)23(21,22)18-12/h1-4,9,12,18H,5-8H2,(H,16,17)/t12-/m0/s1
InChIKeyOOIFGGONQPDREE-LBPRGKRZSA-N
MW332.38 g/mol
LogP0.20
Rot. Bonds1

About [(3S)-1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone

[(3S)-1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (PubChem CID 97197802) has the molecular formula C15H16N4O3S and a molecular weight of 332.38 g/mol. Its IUPAC name is [(3S)-1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[(3S)-1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
PubChem CID97197802
Molecular FormulaC15H16N4O3S
Molecular Weight332.38 g/mol
Exact Mass332.09
IUPAC Name[(3S)-1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESO=C([C@@H]1Cc2ccccc2S(=O)(=O)N1)N1CCc2nc[nH]c2C1
InChIInChI=1S/C15H16N4O3S/c20-15(19-6-5-11-13(8-19)17-9-16-11)12-7-10-3-1-2-4-14(10)23(21,22)18-12/h1-4,9,12,18H,5-8H2,(H,16,17)/t12-/m0/s1
InChIKeyOOIFGGONQPDREE-LBPRGKRZSA-N
XLogP0.20
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S)-1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of [(3S)-1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (CID 97197802) is [(3S)-1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for [(3S)-1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for [(3S)-1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is O=C([C@@H]1Cc2ccccc2S(=O)(=O)N1)N1CCc2nc[nH]c2C1.
What is the InChIKey of [(3S)-1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is OOIFGGONQPDREE-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H16N4O3S/c20-15(19-6-5-11-13(8-19)17-9-16-11)12-7-10-3-1-2-4-14(10)23(21,22)18-12/h1-4,9,12,18H,5-8H2,(H,16,17)/t12-/m0/s1.
What are the key properties of [(3S)-1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
[(3S)-1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 332.38 g/mol, XLogP of 0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 97197802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).