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

C19H25N3O3S — CID 8819226

IUPACN-(1-adamantylmethyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)C1=CC=CN2CCS(=O)(=O)N=C12
InChIInChI=1S/C19H25N3O3S/c23-18(16-2-1-3-22-4-5-26(24,25)21-17(16)22)20-12-19-9-13-6-14(10-19)8-15(7-13)11-19/h1-3,13-15H,4-12H2,(H,20,23)
InChIKeyMEWABMUGEMRNKI-UHFFFAOYSA-N
MW375.49 g/mol
LogP1.82
Rot. Bonds3

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

N-(1-adamantylmethyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (PubChem CID 8819226) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
PubChem CID8819226
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC NameN-(1-adamantylmethyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)C1=CC=CN2CCS(=O)(=O)N=C12
InChIInChI=1S/C19H25N3O3S/c23-18(16-2-1-3-22-4-5-26(24,25)21-17(16)22)20-12-19-9-13-6-14(10-19)8-15(7-13)11-19/h1-3,13-15H,4-12H2,(H,20,23)
InChIKeyMEWABMUGEMRNKI-UHFFFAOYSA-N
XLogP1.82
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (CID 8819226) is N-(1-adamantylmethyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is O=C(NCC12CC3CC(CC(C3)C1)C2)C1=CC=CN2CCS(=O)(=O)N=C12.
What is the InChIKey of N-(1-adamantylmethyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The InChIKey is MEWABMUGEMRNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c23-18(16-2-1-3-22-4-5-26(24,25)21-17(16)22)20-12-19-9-13-6-14(10-19)8-15(7-13)11-19/h1-3,13-15H,4-12H2,(H,20,23).
What are the key properties of N-(1-adamantylmethyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
N-(1-adamantylmethyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide has a molecular weight of 375.49 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is sourced from PubChem (CID 8819226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).