N-[3-[2-(3-chloro-4-methylphenyl)imino-1,3-thiazinan-3-yl]-3-oxopropyl]-2,2-dimethylpropanamide

C19H26ClN3O2S — CID 24630648

IUPACN-[3-[2-(3-chloro-4-methylphenyl)imino-1,3-thiazinan-3-yl]-3-oxopropyl]-2,2-dimethylpropanamide
SMILESCc1ccc(/N=C2\SCCCN2C(=O)CCNC(=O)C(C)(C)C)cc1Cl
InChIInChI=1S/C19H26ClN3O2S/c1-13-6-7-14(12-15(13)20)22-18-23(10-5-11-26-18)16(24)8-9-21-17(25)19(2,3)4/h6-7,12H,5,8-11H2,1-4H3,(H,21,25)/b22-18-
InChIKeyJHYPAKUXYRNCEO-PYCFMQQDSA-N
MW395.96 g/mol
LogP4.15
Rot. Bonds4

About N-[3-[2-(3-chloro-4-methylphenyl)imino-1,3-thiazinan-3-yl]-3-oxopropyl]-2,2-dimethylpropanamide

N-[3-[2-(3-chloro-4-methylphenyl)imino-1,3-thiazinan-3-yl]-3-oxopropyl]-2,2-dimethylpropanamide (PubChem CID 24630648) has the molecular formula C19H26ClN3O2S and a molecular weight of 395.96 g/mol. Its IUPAC name is N-[3-[2-(3-chloro-4-methylphenyl)imino-1,3-thiazinan-3-yl]-3-oxopropyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[2-(3-chloro-4-methylphenyl)imino-1,3-thiazinan-3-yl]-3-oxopropyl]-2,2-dimethylpropanamide
PubChem CID24630648
Molecular FormulaC19H26ClN3O2S
Molecular Weight395.96 g/mol
Exact Mass395.14
IUPAC NameN-[3-[2-(3-chloro-4-methylphenyl)imino-1,3-thiazinan-3-yl]-3-oxopropyl]-2,2-dimethylpropanamide
SMILESCc1ccc(/N=C2\SCCCN2C(=O)CCNC(=O)C(C)(C)C)cc1Cl
InChIInChI=1S/C19H26ClN3O2S/c1-13-6-7-14(12-15(13)20)22-18-23(10-5-11-26-18)16(24)8-9-21-17(25)19(2,3)4/h6-7,12H,5,8-11H2,1-4H3,(H,21,25)/b22-18-
InChIKeyJHYPAKUXYRNCEO-PYCFMQQDSA-N
XLogP4.15
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.96
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-[3-[2-(3-chloro-4-methylphenyl)imino-1,3-thiazinan-3-yl]-3-oxopropyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[2-(3-chloro-4-methylphenyl)imino-1,3-thiazinan-3-yl]-3-oxopropyl]-2,2-dimethylpropanamide (CID 24630648) is N-[3-[2-(3-chloro-4-methylphenyl)imino-1,3-thiazinan-3-yl]-3-oxopropyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[2-(3-chloro-4-methylphenyl)imino-1,3-thiazinan-3-yl]-3-oxopropyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[2-(3-chloro-4-methylphenyl)imino-1,3-thiazinan-3-yl]-3-oxopropyl]-2,2-dimethylpropanamide is Cc1ccc(/N=C2\SCCCN2C(=O)CCNC(=O)C(C)(C)C)cc1Cl.
What is the InChIKey of N-[3-[2-(3-chloro-4-methylphenyl)imino-1,3-thiazinan-3-yl]-3-oxopropyl]-2,2-dimethylpropanamide?
The InChIKey is JHYPAKUXYRNCEO-PYCFMQQDSA-N. The full InChI is InChI=1S/C19H26ClN3O2S/c1-13-6-7-14(12-15(13)20)22-18-23(10-5-11-26-18)16(24)8-9-21-17(25)19(2,3)4/h6-7,12H,5,8-11H2,1-4H3,(H,21,25)/b22-18-.
What are the key properties of N-[3-[2-(3-chloro-4-methylphenyl)imino-1,3-thiazinan-3-yl]-3-oxopropyl]-2,2-dimethylpropanamide?
N-[3-[2-(3-chloro-4-methylphenyl)imino-1,3-thiazinan-3-yl]-3-oxopropyl]-2,2-dimethylpropanamide has a molecular weight of 395.96 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(3-chloro-4-methylphenyl)imino-1,3-thiazinan-3-yl]-3-oxopropyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 24630648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).