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

C20H27N3O3S — CID 46560360

IUPACN-[1-(1-adamantyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESCC(NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H27N3O3S/c1-13(20-9-14-6-15(10-20)8-16(7-14)11-20)21-19(24)17-2-3-18-22-27(25,26)5-4-23(18)12-17/h2-3,12-16H,4-11H2,1H3,(H,21,24)
InChIKeyYWMGCSNLPBYURJ-UHFFFAOYSA-N
MW389.52 g/mol
LogP2.21
Rot. Bonds3

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

N-[1-(1-adamantyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (PubChem CID 46560360) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
PubChem CID46560360
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC NameN-[1-(1-adamantyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESCC(NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H27N3O3S/c1-13(20-9-14-6-15(10-20)8-16(7-14)11-20)21-19(24)17-2-3-18-22-27(25,26)5-4-23(18)12-17/h2-3,12-16H,4-11H2,1H3,(H,21,24)
InChIKeyYWMGCSNLPBYURJ-UHFFFAOYSA-N
XLogP2.21
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The IUPAC name of N-[1-(1-adamantyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (CID 46560360) is N-[1-(1-adamantyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is CC(NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The InChIKey is YWMGCSNLPBYURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-13(20-9-14-6-15(10-20)8-16(7-14)11-20)21-19(24)17-2-3-18-22-27(25,26)5-4-23(18)12-17/h2-3,12-16H,4-11H2,1H3,(H,21,24).
What are the key properties of N-[1-(1-adamantyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
N-[1-(1-adamantyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide has a molecular weight of 389.52 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is sourced from PubChem (CID 46560360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).