(3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-N-(pyridin-2-ylmethyl)-1,2,6-thiadiazinane-3-carboxamide

C15H18N4O4S — CID 16670792

IUPAC(3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-N-(pyridin-2-ylmethyl)-1,2,6-thiadiazinane-3-carboxamide
SMILESCN1[C@@H](C(=O)NCc2ccccn2)C[C@@H](c2ccco2)NS1(=O)=O
InChIInChI=1S/C15H18N4O4S/c1-19-13(15(20)17-10-11-5-2-3-7-16-11)9-12(18-24(19,21)22)14-6-4-8-23-14/h2-8,12-13,18H,9-10H2,1H3,(H,17,20)/t12-,13+/m0/s1
InChIKeyQNNPSKBUSQZWQG-QWHCGFSZSA-N
MW350.40 g/mol
LogP0.57
Rot. Bonds4

About (3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-N-(pyridin-2-ylmethyl)-1,2,6-thiadiazinane-3-carboxamide

(3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-N-(pyridin-2-ylmethyl)-1,2,6-thiadiazinane-3-carboxamide (PubChem CID 16670792) has the molecular formula C15H18N4O4S and a molecular weight of 350.40 g/mol. Its IUPAC name is (3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-N-(pyridin-2-ylmethyl)-1,2,6-thiadiazinane-3-carboxamide.

Molecular Properties

Compound Name(3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-N-(pyridin-2-ylmethyl)-1,2,6-thiadiazinane-3-carboxamide
PubChem CID16670792
Molecular FormulaC15H18N4O4S
Molecular Weight350.40 g/mol
Exact Mass350.10
IUPAC Name(3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-N-(pyridin-2-ylmethyl)-1,2,6-thiadiazinane-3-carboxamide
SMILESCN1[C@@H](C(=O)NCc2ccccn2)C[C@@H](c2ccco2)NS1(=O)=O
InChIInChI=1S/C15H18N4O4S/c1-19-13(15(20)17-10-11-5-2-3-7-16-11)9-12(18-24(19,21)22)14-6-4-8-23-14/h2-8,12-13,18H,9-10H2,1H3,(H,17,20)/t12-,13+/m0/s1
InChIKeyQNNPSKBUSQZWQG-QWHCGFSZSA-N
XLogP0.57
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-N-(pyridin-2-ylmethyl)-1,2,6-thiadiazinane-3-carboxamide with MolForge

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Related Compounds

5-(1,3-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-N-(pyridin-2-ylmethyl)-1,2,6-thiadiazinane-3-carboxamide
CID 110214210
5-(furan-2-yl)-N-(pyridin-2-ylmethyl)pyrazolidine-3-carboxamide
CID 85499054
azepan-1-yl-[(3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]methanone
CID 16670788
(2,6-dimethylpiperidin-1-yl)-[(3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]methanone
CID 126468134
(3R,5S)-N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide
CID 46950438
5-(1,5-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-N-(thiophen-2-ylmethyl)-1,2,6-thiadiazinane-3-carboxamide
CID 110214157
1-methyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 110687259
2-(4-methylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 109134155
(5S,7S)-5-(furan-2-yl)-N-(pyridin-2-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136762133
2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 109136889
4-hydroxy-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 43120836
4-(methylamino)-N-(pyridin-2-ylmethyl)oxolane-3-carboxamide
CID 66266558

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-N-(pyridin-2-ylmethyl)-1,2,6-thiadiazinane-3-carboxamide?
The IUPAC name of (3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-N-(pyridin-2-ylmethyl)-1,2,6-thiadiazinane-3-carboxamide (CID 16670792) is (3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-N-(pyridin-2-ylmethyl)-1,2,6-thiadiazinane-3-carboxamide.
What is the SMILES notation for (3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-N-(pyridin-2-ylmethyl)-1,2,6-thiadiazinane-3-carboxamide?
The canonical SMILES for (3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-N-(pyridin-2-ylmethyl)-1,2,6-thiadiazinane-3-carboxamide is CN1[C@@H](C(=O)NCc2ccccn2)C[C@@H](c2ccco2)NS1(=O)=O.
What is the InChIKey of (3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-N-(pyridin-2-ylmethyl)-1,2,6-thiadiazinane-3-carboxamide?
The InChIKey is QNNPSKBUSQZWQG-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H18N4O4S/c1-19-13(15(20)17-10-11-5-2-3-7-16-11)9-12(18-24(19,21)22)14-6-4-8-23-14/h2-8,12-13,18H,9-10H2,1H3,(H,17,20)/t12-,13+/m0/s1.
What are the key properties of (3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-N-(pyridin-2-ylmethyl)-1,2,6-thiadiazinane-3-carboxamide?
(3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-N-(pyridin-2-ylmethyl)-1,2,6-thiadiazinane-3-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-N-(pyridin-2-ylmethyl)-1,2,6-thiadiazinane-3-carboxamide is sourced from PubChem (CID 16670792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).