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

C16H23N3O3S — CID 30830961

IUPACN-(3-cyclopentylpropyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESO=C(NCCCC1CCCC1)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C16H23N3O3S/c20-16(17-9-3-6-13-4-1-2-5-13)14-7-8-15-18-23(21,22)11-10-19(15)12-14/h7-8,12-13H,1-6,9-11H2,(H,17,20)
InChIKeyLCODPXXWETTZRS-UHFFFAOYSA-N
MW337.45 g/mol
LogP1.57
Rot. Bonds5

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

N-(3-cyclopentylpropyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (PubChem CID 30830961) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is N-(3-cyclopentylpropyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopentylpropyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
PubChem CID30830961
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC NameN-(3-cyclopentylpropyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESO=C(NCCCC1CCCC1)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C16H23N3O3S/c20-16(17-9-3-6-13-4-1-2-5-13)14-7-8-15-18-23(21,22)11-10-19(15)12-14/h7-8,12-13H,1-6,9-11H2,(H,17,20)
InChIKeyLCODPXXWETTZRS-UHFFFAOYSA-N
XLogP1.57
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentylpropyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The IUPAC name of N-(3-cyclopentylpropyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (CID 30830961) is N-(3-cyclopentylpropyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.
What is the SMILES notation for N-(3-cyclopentylpropyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The canonical SMILES for N-(3-cyclopentylpropyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is O=C(NCCCC1CCCC1)C1=CN2CCS(=O)(=O)N=C2C=C1.
What is the InChIKey of N-(3-cyclopentylpropyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The InChIKey is LCODPXXWETTZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c20-16(17-9-3-6-13-4-1-2-5-13)14-7-8-15-18-23(21,22)11-10-19(15)12-14/h7-8,12-13H,1-6,9-11H2,(H,17,20).
What are the key properties of N-(3-cyclopentylpropyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
N-(3-cyclopentylpropyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide has a molecular weight of 337.45 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylpropyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is sourced from PubChem (CID 30830961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).