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

C18H23N3O3S — CID 8857666

IUPACN-(2-adamantyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)C1=CC=CN2CCS(=O)(=O)N=C12
InChIInChI=1S/C18H23N3O3S/c22-18(15-2-1-3-21-4-5-25(23,24)20-17(15)21)19-16-13-7-11-6-12(9-13)10-14(16)8-11/h1-3,11-14,16H,4-10H2,(H,19,22)
InChIKeyCPJOUTYONFUEOA-UHFFFAOYSA-N
MW361.47 g/mol
LogP1.42
Rot. Bonds2

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

N-(2-adamantyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (PubChem CID 8857666) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-(2-adamantyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
PubChem CID8857666
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-(2-adamantyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)C1=CC=CN2CCS(=O)(=O)N=C12
InChIInChI=1S/C18H23N3O3S/c22-18(15-2-1-3-21-4-5-25(23,24)20-17(15)21)19-16-13-7-11-6-12(9-13)10-14(16)8-11/h1-3,11-14,16H,4-10H2,(H,19,22)
InChIKeyCPJOUTYONFUEOA-UHFFFAOYSA-N
XLogP1.42
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The IUPAC name of N-(2-adamantyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (CID 8857666) is N-(2-adamantyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The canonical SMILES for N-(2-adamantyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is O=C(NC1C2CC3CC(C2)CC1C3)C1=CC=CN2CCS(=O)(=O)N=C12.
What is the InChIKey of N-(2-adamantyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The InChIKey is CPJOUTYONFUEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c22-18(15-2-1-3-21-4-5-25(23,24)20-17(15)21)19-16-13-7-11-6-12(9-13)10-14(16)8-11/h1-3,11-14,16H,4-10H2,(H,19,22).
What are the key properties of N-(2-adamantyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
N-(2-adamantyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide has a molecular weight of 361.47 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is sourced from PubChem (CID 8857666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).