cyclopentyl-[2-(3,4-dimethoxyphenyl)imino-1,3-thiazinan-3-yl]methanone

C18H24N2O3S — CID 2467102

IUPACcyclopentyl-[2-(3,4-dimethoxyphenyl)imino-1,3-thiazinan-3-yl]methanone
SMILESCOc1ccc(/N=C2\SCCCN2C(=O)C2CCCC2)cc1OC
InChIInChI=1S/C18H24N2O3S/c1-22-15-9-8-14(12-16(15)23-2)19-18-20(10-5-11-24-18)17(21)13-6-3-4-7-13/h8-9,12-13H,3-7,10-11H2,1-2H3/b19-18-
InChIKeyLTPPWQFYZXSIAB-HNENSFHCSA-N
MW348.47 g/mol
LogP3.85
Rot. Bonds4

About cyclopentyl-[2-(3,4-dimethoxyphenyl)imino-1,3-thiazinan-3-yl]methanone

cyclopentyl-[2-(3,4-dimethoxyphenyl)imino-1,3-thiazinan-3-yl]methanone (PubChem CID 2467102) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is cyclopentyl-[2-(3,4-dimethoxyphenyl)imino-1,3-thiazinan-3-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[2-(3,4-dimethoxyphenyl)imino-1,3-thiazinan-3-yl]methanone
PubChem CID2467102
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Namecyclopentyl-[2-(3,4-dimethoxyphenyl)imino-1,3-thiazinan-3-yl]methanone
SMILESCOc1ccc(/N=C2\SCCCN2C(=O)C2CCCC2)cc1OC
InChIInChI=1S/C18H24N2O3S/c1-22-15-9-8-14(12-16(15)23-2)19-18-20(10-5-11-24-18)17(21)13-6-3-4-7-13/h8-9,12-13H,3-7,10-11H2,1-2H3/b19-18-
InChIKeyLTPPWQFYZXSIAB-HNENSFHCSA-N
XLogP3.85
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[2-(3,4-dimethoxyphenyl)imino-1,3-thiazinan-3-yl]methanone?
The IUPAC name of cyclopentyl-[2-(3,4-dimethoxyphenyl)imino-1,3-thiazinan-3-yl]methanone (CID 2467102) is cyclopentyl-[2-(3,4-dimethoxyphenyl)imino-1,3-thiazinan-3-yl]methanone.
What is the SMILES notation for cyclopentyl-[2-(3,4-dimethoxyphenyl)imino-1,3-thiazinan-3-yl]methanone?
The canonical SMILES for cyclopentyl-[2-(3,4-dimethoxyphenyl)imino-1,3-thiazinan-3-yl]methanone is COc1ccc(/N=C2\SCCCN2C(=O)C2CCCC2)cc1OC.
What is the InChIKey of cyclopentyl-[2-(3,4-dimethoxyphenyl)imino-1,3-thiazinan-3-yl]methanone?
The InChIKey is LTPPWQFYZXSIAB-HNENSFHCSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-22-15-9-8-14(12-16(15)23-2)19-18-20(10-5-11-24-18)17(21)13-6-3-4-7-13/h8-9,12-13H,3-7,10-11H2,1-2H3/b19-18-.
What are the key properties of cyclopentyl-[2-(3,4-dimethoxyphenyl)imino-1,3-thiazinan-3-yl]methanone?
cyclopentyl-[2-(3,4-dimethoxyphenyl)imino-1,3-thiazinan-3-yl]methanone has a molecular weight of 348.47 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[2-(3,4-dimethoxyphenyl)imino-1,3-thiazinan-3-yl]methanone is sourced from PubChem (CID 2467102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).