(3S,5S)-5-(1,3-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-N-pyridin-3-yl-1,2,6-thiadiazinane-3-carboxamide

C15H20N6O3S — CID 95797818

IUPAC(3S,5S)-5-(1,3-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-N-pyridin-3-yl-1,2,6-thiadiazinane-3-carboxamide
SMILESCc1nn(C)cc1[C@@H]1C[C@@H](C(=O)Nc2cccnc2)N(C)S(=O)(=O)N1
InChIInChI=1S/C15H20N6O3S/c1-10-12(9-20(2)18-10)13-7-14(21(3)25(23,24)19-13)15(22)17-11-5-4-6-16-8-11/h4-6,8-9,13-14,19H,7H2,1-3H3,(H,17,22)/t13-,14-/m0/s1
InChIKeyCDUGGOMFEOMSAJ-KBPBESRZSA-N
MW364.43 g/mol
LogP0.34
Rot. Bonds3

About (3S,5S)-5-(1,3-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-N-pyridin-3-yl-1,2,6-thiadiazinane-3-carboxamide

(3S,5S)-5-(1,3-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-N-pyridin-3-yl-1,2,6-thiadiazinane-3-carboxamide (PubChem CID 95797818) has the molecular formula C15H20N6O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is (3S,5S)-5-(1,3-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-N-pyridin-3-yl-1,2,6-thiadiazinane-3-carboxamide.

Molecular Properties

Compound Name(3S,5S)-5-(1,3-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-N-pyridin-3-yl-1,2,6-thiadiazinane-3-carboxamide
PubChem CID95797818
Molecular FormulaC15H20N6O3S
Molecular Weight364.43 g/mol
Exact Mass364.13
IUPAC Name(3S,5S)-5-(1,3-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-N-pyridin-3-yl-1,2,6-thiadiazinane-3-carboxamide
SMILESCc1nn(C)cc1[C@@H]1C[C@@H](C(=O)Nc2cccnc2)N(C)S(=O)(=O)N1
InChIInChI=1S/C15H20N6O3S/c1-10-12(9-20(2)18-10)13-7-14(21(3)25(23,24)19-13)15(22)17-11-5-4-6-16-8-11/h4-6,8-9,13-14,19H,7H2,1-3H3,(H,17,22)/t13-,14-/m0/s1
InChIKeyCDUGGOMFEOMSAJ-KBPBESRZSA-N
XLogP0.34
TPSA109.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3S,5S)-5-(1,3-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-N-pyridin-3-yl-1,2,6-thiadiazinane-3-carboxamide with MolForge

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Related Compounds

N-(3-chloro-2-methylphenyl)-5-(1,3-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide
CID 110214170
(3S,5S)-5-(1,3-dimethylpyrazol-4-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide
CID 95797822
N-(2,4-difluorophenyl)-5-(1,3-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide
CID 110214181
(3S,5R)-N-(5-chloro-2-hydroxyphenyl)-5-(1,3-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide
CID 95797797
5-(1,3-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-N-(pyridin-2-ylmethyl)-1,2,6-thiadiazinane-3-carboxamide
CID 110214210
5-(1,3-dimethylpyrazol-4-yl)-2-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide
CID 75260118
(3R,5S)-N-(1-butylpyrazol-4-yl)-5-(1-ethyl-3-methylpyrazol-4-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide
CID 95797735
(3R,5S)-N,N-dicyclohexyl-5-(1,3-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide
CID 46950455
(3S,5R)-N-tert-butyl-5-(1-ethyl-3-methylpyrazol-4-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide
CID 95797711
(3R,5S)-N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-(5-pyridin-3-yl-1,3-thiazol-2-yl)-1,2,6-thiadiazinane-3-carboxamide
CID 135317914
(3S,5S)-5-(1,5-dimethylpyrazol-4-yl)-N-[4-[(1R)-1-hydroxyethyl]phenyl]-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide
CID 95797892
N-(3-chloro-4-fluorophenyl)-5-[5-(1,3-dimethylpyrazol-4-yl)thiophen-2-yl]-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide
CID 135318405

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-(1,3-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-N-pyridin-3-yl-1,2,6-thiadiazinane-3-carboxamide?
The IUPAC name of (3S,5S)-5-(1,3-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-N-pyridin-3-yl-1,2,6-thiadiazinane-3-carboxamide (CID 95797818) is (3S,5S)-5-(1,3-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-N-pyridin-3-yl-1,2,6-thiadiazinane-3-carboxamide.
What is the SMILES notation for (3S,5S)-5-(1,3-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-N-pyridin-3-yl-1,2,6-thiadiazinane-3-carboxamide?
The canonical SMILES for (3S,5S)-5-(1,3-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-N-pyridin-3-yl-1,2,6-thiadiazinane-3-carboxamide is Cc1nn(C)cc1[C@@H]1C[C@@H](C(=O)Nc2cccnc2)N(C)S(=O)(=O)N1.
What is the InChIKey of (3S,5S)-5-(1,3-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-N-pyridin-3-yl-1,2,6-thiadiazinane-3-carboxamide?
The InChIKey is CDUGGOMFEOMSAJ-KBPBESRZSA-N. The full InChI is InChI=1S/C15H20N6O3S/c1-10-12(9-20(2)18-10)13-7-14(21(3)25(23,24)19-13)15(22)17-11-5-4-6-16-8-11/h4-6,8-9,13-14,19H,7H2,1-3H3,(H,17,22)/t13-,14-/m0/s1.
What are the key properties of (3S,5S)-5-(1,3-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-N-pyridin-3-yl-1,2,6-thiadiazinane-3-carboxamide?
(3S,5S)-5-(1,3-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-N-pyridin-3-yl-1,2,6-thiadiazinane-3-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-(1,3-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-N-pyridin-3-yl-1,2,6-thiadiazinane-3-carboxamide is sourced from PubChem (CID 95797818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).