(3,5-dimethylfuran-2-yl)-(1,1-dioxo-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazin-4-yl)methanone

C14H19NO4S — CID 128652669

IUPAC(3,5-dimethylfuran-2-yl)-(1,1-dioxo-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazin-4-yl)methanone
SMILESCc1cc(C)c(C(=O)N2CCS(=O)(=O)C3CCCC32)o1
InChIInChI=1S/C14H19NO4S/c1-9-8-10(2)19-13(9)14(16)15-6-7-20(17,18)12-5-3-4-11(12)15/h8,11-12H,3-7H2,1-2H3
InChIKeyRZRGPAMGBVCNAP-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.69
Rot. Bonds1

About (3,5-dimethylfuran-2-yl)-(1,1-dioxo-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazin-4-yl)methanone

(3,5-dimethylfuran-2-yl)-(1,1-dioxo-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazin-4-yl)methanone (PubChem CID 128652669) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is (3,5-dimethylfuran-2-yl)-(1,1-dioxo-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazin-4-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethylfuran-2-yl)-(1,1-dioxo-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazin-4-yl)methanone
PubChem CID128652669
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name(3,5-dimethylfuran-2-yl)-(1,1-dioxo-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazin-4-yl)methanone
SMILESCc1cc(C)c(C(=O)N2CCS(=O)(=O)C3CCCC32)o1
InChIInChI=1S/C14H19NO4S/c1-9-8-10(2)19-13(9)14(16)15-6-7-20(17,18)12-5-3-4-11(12)15/h8,11-12H,3-7H2,1-2H3
InChIKeyRZRGPAMGBVCNAP-UHFFFAOYSA-N
XLogP1.69
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3,5-dimethylfuran-2-yl)-(1,1-dioxo-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazin-4-yl)methanone with MolForge

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Related Compounds

[2-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethylfuran-2-yl)methanone;hydrochloride
CID 119435236
(4-aminopiperidin-1-yl)-(3,5-dimethylfuran-2-yl)methanone
CID 119373769
(3,5-dimethylfuran-2-yl)-[(2S)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 99778689
4-(5-methylfuran-2-yl)sulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazine 1,1-dioxide
CID 167791329
(3,5-dimethylfuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119560716
(3-aminopiperidin-1-yl)-(3,5-dimethylfuran-2-yl)methanone;hydrochloride
CID 119378232
1-(3,5-dimethylfuran-2-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122113561
(3,5-dimethylfuran-2-yl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120570950
[4-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethylfuran-2-yl)methanone
CID 119517710
(3,5-dimethylfuran-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120737581
[(4aS,8aS)-1,1-dioxo-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazin-4-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]methanone
CID 97008863
(1,1-dioxo-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazin-4-yl)-pyrrolidin-2-ylmethanone
CID 119324532

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylfuran-2-yl)-(1,1-dioxo-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazin-4-yl)methanone?
The IUPAC name of (3,5-dimethylfuran-2-yl)-(1,1-dioxo-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazin-4-yl)methanone (CID 128652669) is (3,5-dimethylfuran-2-yl)-(1,1-dioxo-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazin-4-yl)methanone.
What is the SMILES notation for (3,5-dimethylfuran-2-yl)-(1,1-dioxo-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazin-4-yl)methanone?
The canonical SMILES for (3,5-dimethylfuran-2-yl)-(1,1-dioxo-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazin-4-yl)methanone is Cc1cc(C)c(C(=O)N2CCS(=O)(=O)C3CCCC32)o1.
What is the InChIKey of (3,5-dimethylfuran-2-yl)-(1,1-dioxo-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazin-4-yl)methanone?
The InChIKey is RZRGPAMGBVCNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-9-8-10(2)19-13(9)14(16)15-6-7-20(17,18)12-5-3-4-11(12)15/h8,11-12H,3-7H2,1-2H3.
What are the key properties of (3,5-dimethylfuran-2-yl)-(1,1-dioxo-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazin-4-yl)methanone?
(3,5-dimethylfuran-2-yl)-(1,1-dioxo-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazin-4-yl)methanone has a molecular weight of 297.38 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylfuran-2-yl)-(1,1-dioxo-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazin-4-yl)methanone is sourced from PubChem (CID 128652669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).