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

C14H17N3O4S — CID 22515296

IUPACN-cyclopentyl-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
SMILESCN1C(C(=O)NC2CCCC2)=CC(c2ccco2)=NS1(=O)=O
InChIInChI=1S/C14H17N3O4S/c1-17-12(14(18)15-10-5-2-3-6-10)9-11(16-22(17,19)20)13-7-4-8-21-13/h4,7-10H,2-3,5-6H2,1H3,(H,15,18)
InChIKeyCRIKYQWNBVSRJS-UHFFFAOYSA-N
MW323.37 g/mol
LogP1.20
Rot. Bonds3

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

N-cyclopentyl-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide (PubChem CID 22515296) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is N-cyclopentyl-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
PubChem CID22515296
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC NameN-cyclopentyl-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
SMILESCN1C(C(=O)NC2CCCC2)=CC(c2ccco2)=NS1(=O)=O
InChIInChI=1S/C14H17N3O4S/c1-17-12(14(18)15-10-5-2-3-6-10)9-11(16-22(17,19)20)13-7-4-8-21-13/h4,7-10H,2-3,5-6H2,1H3,(H,15,18)
InChIKeyCRIKYQWNBVSRJS-UHFFFAOYSA-N
XLogP1.20
TPSA91.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The IUPAC name of N-cyclopentyl-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide (CID 22515296) is N-cyclopentyl-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide is CN1C(C(=O)NC2CCCC2)=CC(c2ccco2)=NS1(=O)=O.
What is the InChIKey of N-cyclopentyl-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The InChIKey is CRIKYQWNBVSRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-17-12(14(18)15-10-5-2-3-6-10)9-11(16-22(17,19)20)13-7-4-8-21-13/h4,7-10H,2-3,5-6H2,1H3,(H,15,18).
What are the key properties of N-cyclopentyl-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
N-cyclopentyl-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide has a molecular weight of 323.37 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide is sourced from PubChem (CID 22515296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).