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

C15H21N3O3S — CID 17428516

IUPACN-(cyclohexylmethyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESO=C(NCC1CCCCC1)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C15H21N3O3S/c19-15(16-10-12-4-2-1-3-5-12)13-6-7-14-17-22(20,21)9-8-18(14)11-13/h6-7,11-12H,1-5,8-10H2,(H,16,19)
InChIKeyRUJQKTLFRYNMIJ-UHFFFAOYSA-N
MW323.42 g/mol
LogP1.18
Rot. Bonds3

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

N-(cyclohexylmethyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (PubChem CID 17428516) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
PubChem CID17428516
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC NameN-(cyclohexylmethyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESO=C(NCC1CCCCC1)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C15H21N3O3S/c19-15(16-10-12-4-2-1-3-5-12)13-6-7-14-17-22(20,21)9-8-18(14)11-13/h6-7,11-12H,1-5,8-10H2,(H,16,19)
InChIKeyRUJQKTLFRYNMIJ-UHFFFAOYSA-N
XLogP1.18
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
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-(cyclohexylmethyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (CID 17428516) is N-(cyclohexylmethyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is O=C(NCC1CCCCC1)C1=CN2CCS(=O)(=O)N=C2C=C1.
What is the InChIKey of N-(cyclohexylmethyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The InChIKey is RUJQKTLFRYNMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c19-15(16-10-12-4-2-1-3-5-12)13-6-7-14-17-22(20,21)9-8-18(14)11-13/h6-7,11-12H,1-5,8-10H2,(H,16,19).
What are the key properties of N-(cyclohexylmethyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
N-(cyclohexylmethyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide has a molecular weight of 323.42 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is sourced from PubChem (CID 17428516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).