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

C19H25N3O3S — CID 26646615

IUPACN-(1-adamantylmethyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C19H25N3O3S/c23-18(16-1-2-17-21-26(24,25)4-3-22(17)11-16)20-12-19-8-13-5-14(9-19)7-15(6-13)10-19/h1-2,11,13-15H,3-10,12H2,(H,20,23)
InChIKeyDLXMWRUQPNLVRI-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-7-carboxamide

N-(1-adamantylmethyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (PubChem CID 26646615) 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-7-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
PubChem CID26646615
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-7-carboxamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C19H25N3O3S/c23-18(16-1-2-17-21-26(24,25)4-3-22(17)11-16)20-12-19-8-13-5-14(9-19)7-15(6-13)10-19/h1-2,11,13-15H,3-10,12H2,(H,20,23)
InChIKeyDLXMWRUQPNLVRI-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-7-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (CID 26646615) is N-(1-adamantylmethyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is O=C(NCC12CC3CC(CC(C3)C1)C2)C1=CN2CCS(=O)(=O)N=C2C=C1.
What is the InChIKey of N-(1-adamantylmethyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The InChIKey is DLXMWRUQPNLVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c23-18(16-1-2-17-21-26(24,25)4-3-22(17)11-16)20-12-19-8-13-5-14(9-19)7-15(6-13)10-19/h1-2,11,13-15H,3-10,12H2,(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-7-carboxamide?
N-(1-adamantylmethyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-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-7-carboxamide is sourced from PubChem (CID 26646615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).