5-amino-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-4-carboxamide

C11H16N4O3S — CID 114090699

IUPAC5-amino-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-4-carboxamide
SMILESCC1CS(=O)(=O)CCN1c1cc(C(N)=O)c(N)cn1
InChIInChI=1S/C11H16N4O3S/c1-7-6-19(17,18)3-2-15(7)10-4-8(11(13)16)9(12)5-14-10/h4-5,7H,2-3,6,12H2,1H3,(H2,13,16)
InChIKeyBOMXLAXHIIKRFT-UHFFFAOYSA-N
MW284.34 g/mol
LogP-0.61
Rot. Bonds2

About 5-amino-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-4-carboxamide

5-amino-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-4-carboxamide (PubChem CID 114090699) has the molecular formula C11H16N4O3S and a molecular weight of 284.34 g/mol. Its IUPAC name is 5-amino-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-4-carboxamide
PubChem CID114090699
Molecular FormulaC11H16N4O3S
Molecular Weight284.34 g/mol
Exact Mass284.09
IUPAC Name5-amino-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-4-carboxamide
SMILESCC1CS(=O)(=O)CCN1c1cc(C(N)=O)c(N)cn1
InChIInChI=1S/C11H16N4O3S/c1-7-6-19(17,18)3-2-15(7)10-4-8(11(13)16)9(12)5-14-10/h4-5,7H,2-3,6,12H2,1H3,(H2,13,16)
InChIKeyBOMXLAXHIIKRFT-UHFFFAOYSA-N
XLogP-0.61
TPSA119.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-4-carboxamide?
The IUPAC name of 5-amino-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-4-carboxamide (CID 114090699) is 5-amino-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for 5-amino-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-4-carboxamide?
The canonical SMILES for 5-amino-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-4-carboxamide is CC1CS(=O)(=O)CCN1c1cc(C(N)=O)c(N)cn1.
What is the InChIKey of 5-amino-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-4-carboxamide?
The InChIKey is BOMXLAXHIIKRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3S/c1-7-6-19(17,18)3-2-15(7)10-4-8(11(13)16)9(12)5-14-10/h4-5,7H,2-3,6,12H2,1H3,(H2,13,16).
What are the key properties of 5-amino-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-4-carboxamide?
5-amino-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-4-carboxamide has a molecular weight of 284.34 g/mol, XLogP of -0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 114090699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).