N-(4-methylcyclohexyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide

C15H21N3O3S — CID 78808193

IUPACN-(4-methylcyclohexyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
SMILESCC1CCC(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CC1
InChIInChI=1S/C15H21N3O3S/c1-11-4-6-12(7-5-11)16-15(19)13-3-2-8-18-9-10-22(20,21)17-14(13)18/h2-3,8,11-12H,4-7,9-10H2,1H3,(H,16,19)
InChIKeyZQSZGVUAHQUPAL-UHFFFAOYSA-N
MW323.42 g/mol
LogP1.18
Rot. Bonds2

About N-(4-methylcyclohexyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide

N-(4-methylcyclohexyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (PubChem CID 78808193) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
PubChem CID78808193
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC NameN-(4-methylcyclohexyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
SMILESCC1CCC(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CC1
InChIInChI=1S/C15H21N3O3S/c1-11-4-6-12(7-5-11)16-15(19)13-3-2-8-18-9-10-22(20,21)17-14(13)18/h2-3,8,11-12H,4-7,9-10H2,1H3,(H,16,19)
InChIKeyZQSZGVUAHQUPAL-UHFFFAOYSA-N
XLogP1.18
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The IUPAC name of N-(4-methylcyclohexyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (CID 78808193) is N-(4-methylcyclohexyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The canonical SMILES for N-(4-methylcyclohexyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is CC1CCC(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The InChIKey is ZQSZGVUAHQUPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-11-4-6-12(7-5-11)16-15(19)13-3-2-8-18-9-10-22(20,21)17-14(13)18/h2-3,8,11-12H,4-7,9-10H2,1H3,(H,16,19).
What are the key properties of N-(4-methylcyclohexyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
N-(4-methylcyclohexyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide has a molecular weight of 323.42 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is sourced from PubChem (CID 78808193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).