N-methyl-N-(4-methylcyclohexyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide

C16H23N3O3S — CID 32917989

IUPACN-methyl-N-(4-methylcyclohexyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESCC1CCC(N(C)C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC1
InChIInChI=1S/C16H23N3O3S/c1-12-3-6-14(7-4-12)18(2)16(20)13-5-8-15-17-23(21,22)10-9-19(15)11-13/h5,8,11-12,14H,3-4,6-7,9-10H2,1-2H3
InChIKeyJVOSCABYBOZAFL-UHFFFAOYSA-N
MW337.45 g/mol
LogP1.52
Rot. Bonds2

About N-methyl-N-(4-methylcyclohexyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide

N-methyl-N-(4-methylcyclohexyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (PubChem CID 32917989) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is N-methyl-N-(4-methylcyclohexyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylcyclohexyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
PubChem CID32917989
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC NameN-methyl-N-(4-methylcyclohexyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESCC1CCC(N(C)C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC1
InChIInChI=1S/C16H23N3O3S/c1-12-3-6-14(7-4-12)18(2)16(20)13-5-8-15-17-23(21,22)10-9-19(15)11-13/h5,8,11-12,14H,3-4,6-7,9-10H2,1-2H3
InChIKeyJVOSCABYBOZAFL-UHFFFAOYSA-N
XLogP1.52
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylcyclohexyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The IUPAC name of N-methyl-N-(4-methylcyclohexyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (CID 32917989) is N-methyl-N-(4-methylcyclohexyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.
What is the SMILES notation for N-methyl-N-(4-methylcyclohexyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The canonical SMILES for N-methyl-N-(4-methylcyclohexyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is CC1CCC(N(C)C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC1.
What is the InChIKey of N-methyl-N-(4-methylcyclohexyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The InChIKey is JVOSCABYBOZAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-12-3-6-14(7-4-12)18(2)16(20)13-5-8-15-17-23(21,22)10-9-19(15)11-13/h5,8,11-12,14H,3-4,6-7,9-10H2,1-2H3.
What are the key properties of N-methyl-N-(4-methylcyclohexyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
N-methyl-N-(4-methylcyclohexyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide has a molecular weight of 337.45 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylcyclohexyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is sourced from PubChem (CID 32917989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).