N-cyclohexyl-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide

C15H19N3O4S — CID 22515299

IUPACN-cyclohexyl-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
SMILESCN1C(C(=O)NC2CCCCC2)=CC(c2ccco2)=NS1(=O)=O
InChIInChI=1S/C15H19N3O4S/c1-18-13(15(19)16-11-6-3-2-4-7-11)10-12(17-23(18,20)21)14-8-5-9-22-14/h5,8-11H,2-4,6-7H2,1H3,(H,16,19)
InChIKeyGHHVJRXMNUNRPO-UHFFFAOYSA-N
MW337.40 g/mol
LogP1.59
Rot. Bonds3

About N-cyclohexyl-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide

N-cyclohexyl-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide (PubChem CID 22515299) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is N-cyclohexyl-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
PubChem CID22515299
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC NameN-cyclohexyl-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
SMILESCN1C(C(=O)NC2CCCCC2)=CC(c2ccco2)=NS1(=O)=O
InChIInChI=1S/C15H19N3O4S/c1-18-13(15(19)16-11-6-3-2-4-7-11)10-12(17-23(18,20)21)14-8-5-9-22-14/h5,8-11H,2-4,6-7H2,1H3,(H,16,19)
InChIKeyGHHVJRXMNUNRPO-UHFFFAOYSA-N
XLogP1.59
TPSA91.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The IUPAC name of N-cyclohexyl-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide (CID 22515299) is N-cyclohexyl-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide is CN1C(C(=O)NC2CCCCC2)=CC(c2ccco2)=NS1(=O)=O.
What is the InChIKey of N-cyclohexyl-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The InChIKey is GHHVJRXMNUNRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-18-13(15(19)16-11-6-3-2-4-7-11)10-12(17-23(18,20)21)14-8-5-9-22-14/h5,8-11H,2-4,6-7H2,1H3,(H,16,19).
What are the key properties of N-cyclohexyl-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
N-cyclohexyl-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide has a molecular weight of 337.40 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide is sourced from PubChem (CID 22515299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).