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

C18H23N3O3S — CID 27650271

IUPACN-(1-adamantyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C18H23N3O3S/c22-17(15-1-2-16-20-25(23,24)4-3-21(16)11-15)19-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-2,11-14H,3-10H2,(H,19,22)
InChIKeyOYUDOARLPWSRLB-UHFFFAOYSA-N
MW361.47 g/mol
LogP1.57
Rot. Bonds2

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

N-(1-adamantyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (PubChem CID 27650271) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-(1-adamantyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
PubChem CID27650271
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-(1-adamantyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C18H23N3O3S/c22-17(15-1-2-16-20-25(23,24)4-3-21(16)11-15)19-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-2,11-14H,3-10H2,(H,19,22)
InChIKeyOYUDOARLPWSRLB-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The IUPAC name of N-(1-adamantyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (CID 27650271) is N-(1-adamantyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The canonical SMILES for N-(1-adamantyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)C1=CN2CCS(=O)(=O)N=C2C=C1.
What is the InChIKey of N-(1-adamantyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The InChIKey is OYUDOARLPWSRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c22-17(15-1-2-16-20-25(23,24)4-3-21(16)11-15)19-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-2,11-14H,3-10H2,(H,19,22).
What are the key properties of N-(1-adamantyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
N-(1-adamantyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide has a molecular weight of 361.47 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-adamantyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is sourced from PubChem (CID 27650271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).