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

C16H23N3O3S — CID 47091580

IUPACN-(1,4-dimethylcyclohexyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESCC1CCC(C)(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC1
InChIInChI=1S/C16H23N3O3S/c1-12-5-7-16(2,8-6-12)17-15(20)13-3-4-14-18-23(21,22)10-9-19(14)11-13/h3-4,11-12H,5-10H2,1-2H3,(H,17,20)
InChIKeyCMSCGVBMRDYMNO-UHFFFAOYSA-N
MW337.45 g/mol
LogP1.57
Rot. Bonds2

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

N-(1,4-dimethylcyclohexyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (PubChem CID 47091580) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is N-(1,4-dimethylcyclohexyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.

Molecular Properties

Compound NameN-(1,4-dimethylcyclohexyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
PubChem CID47091580
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC NameN-(1,4-dimethylcyclohexyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESCC1CCC(C)(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC1
InChIInChI=1S/C16H23N3O3S/c1-12-5-7-16(2,8-6-12)17-15(20)13-3-4-14-18-23(21,22)10-9-19(14)11-13/h3-4,11-12H,5-10H2,1-2H3,(H,17,20)
InChIKeyCMSCGVBMRDYMNO-UHFFFAOYSA-N
XLogP1.57
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dimethylcyclohexyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The IUPAC name of N-(1,4-dimethylcyclohexyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (CID 47091580) is N-(1,4-dimethylcyclohexyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.
What is the SMILES notation for N-(1,4-dimethylcyclohexyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The canonical SMILES for N-(1,4-dimethylcyclohexyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is CC1CCC(C)(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC1.
What is the InChIKey of N-(1,4-dimethylcyclohexyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The InChIKey is CMSCGVBMRDYMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-12-5-7-16(2,8-6-12)17-15(20)13-3-4-14-18-23(21,22)10-9-19(14)11-13/h3-4,11-12H,5-10H2,1-2H3,(H,17,20).
What are the key properties of N-(1,4-dimethylcyclohexyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
N-(1,4-dimethylcyclohexyl)-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 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dimethylcyclohexyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is sourced from PubChem (CID 47091580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).