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

C14H21N3O3S — CID 49366370

IUPACN-(2-methylpentan-2-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESCCCC(C)(C)NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C14H21N3O3S/c1-4-7-14(2,3)15-13(18)11-5-6-12-16-21(19,20)9-8-17(12)10-11/h5-6,10H,4,7-9H2,1-3H3,(H,15,18)
InChIKeyHLJCVNXWRWLZSS-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.18
Rot. Bonds4

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

N-(2-methylpentan-2-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (PubChem CID 49366370) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-(2-methylpentan-2-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.

Molecular Properties

Compound NameN-(2-methylpentan-2-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
PubChem CID49366370
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC NameN-(2-methylpentan-2-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESCCCC(C)(C)NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C14H21N3O3S/c1-4-7-14(2,3)15-13(18)11-5-6-12-16-21(19,20)9-8-17(12)10-11/h5-6,10H,4,7-9H2,1-3H3,(H,15,18)
InChIKeyHLJCVNXWRWLZSS-UHFFFAOYSA-N
XLogP1.18
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpentan-2-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The IUPAC name of N-(2-methylpentan-2-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (CID 49366370) is N-(2-methylpentan-2-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.
What is the SMILES notation for N-(2-methylpentan-2-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The canonical SMILES for N-(2-methylpentan-2-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is CCCC(C)(C)NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1.
What is the InChIKey of N-(2-methylpentan-2-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The InChIKey is HLJCVNXWRWLZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-4-7-14(2,3)15-13(18)11-5-6-12-16-21(19,20)9-8-17(12)10-11/h5-6,10H,4,7-9H2,1-3H3,(H,15,18).
What are the key properties of N-(2-methylpentan-2-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
N-(2-methylpentan-2-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpentan-2-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is sourced from PubChem (CID 49366370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).