5-(1,1-dioxothiazinan-2-yl)-7-propan-2-yl-1,6-naphthyridin-8-ol

C15H19N3O3S — CID 70998737

IUPAC5-(1,1-dioxothiazinan-2-yl)-7-propan-2-yl-1,6-naphthyridin-8-ol
SMILESCC(C)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1O
InChIInChI=1S/C15H19N3O3S/c1-10(2)12-14(19)13-11(6-5-7-16-13)15(17-12)18-8-3-4-9-22(18,20)21/h5-7,10,19H,3-4,8-9H2,1-2H3
InChIKeyVOBIVZGEWVYSGS-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.39
Rot. Bonds2

About 5-(1,1-dioxothiazinan-2-yl)-7-propan-2-yl-1,6-naphthyridin-8-ol

5-(1,1-dioxothiazinan-2-yl)-7-propan-2-yl-1,6-naphthyridin-8-ol (PubChem CID 70998737) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 5-(1,1-dioxothiazinan-2-yl)-7-propan-2-yl-1,6-naphthyridin-8-ol.

Molecular Properties

Compound Name5-(1,1-dioxothiazinan-2-yl)-7-propan-2-yl-1,6-naphthyridin-8-ol
PubChem CID70998737
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name5-(1,1-dioxothiazinan-2-yl)-7-propan-2-yl-1,6-naphthyridin-8-ol
SMILESCC(C)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1O
InChIInChI=1S/C15H19N3O3S/c1-10(2)12-14(19)13-11(6-5-7-16-13)15(17-12)18-8-3-4-9-22(18,20)21/h5-7,10,19H,3-4,8-9H2,1-2H3
InChIKeyVOBIVZGEWVYSGS-UHFFFAOYSA-N
XLogP2.39
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1-dioxothiazinan-2-yl)-7-propan-2-yl-1,6-naphthyridin-8-ol?
The IUPAC name of 5-(1,1-dioxothiazinan-2-yl)-7-propan-2-yl-1,6-naphthyridin-8-ol (CID 70998737) is 5-(1,1-dioxothiazinan-2-yl)-7-propan-2-yl-1,6-naphthyridin-8-ol.
What is the SMILES notation for 5-(1,1-dioxothiazinan-2-yl)-7-propan-2-yl-1,6-naphthyridin-8-ol?
The canonical SMILES for 5-(1,1-dioxothiazinan-2-yl)-7-propan-2-yl-1,6-naphthyridin-8-ol is CC(C)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1O.
What is the InChIKey of 5-(1,1-dioxothiazinan-2-yl)-7-propan-2-yl-1,6-naphthyridin-8-ol?
The InChIKey is VOBIVZGEWVYSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-10(2)12-14(19)13-11(6-5-7-16-13)15(17-12)18-8-3-4-9-22(18,20)21/h5-7,10,19H,3-4,8-9H2,1-2H3.
What are the key properties of 5-(1,1-dioxothiazinan-2-yl)-7-propan-2-yl-1,6-naphthyridin-8-ol?
5-(1,1-dioxothiazinan-2-yl)-7-propan-2-yl-1,6-naphthyridin-8-ol has a molecular weight of 321.40 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-dioxothiazinan-2-yl)-7-propan-2-yl-1,6-naphthyridin-8-ol is sourced from PubChem (CID 70998737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).