3-(1,1-dioxothiazinan-2-yl)-N-ethyl-N-(3-methylphenyl)propanamide

C16H24N2O3S — CID 110687960

IUPAC3-(1,1-dioxothiazinan-2-yl)-N-ethyl-N-(3-methylphenyl)propanamide
SMILESCCN(C(=O)CCN1CCCCS1(=O)=O)c1cccc(C)c1
InChIInChI=1S/C16H24N2O3S/c1-3-18(15-8-6-7-14(2)13-15)16(19)9-11-17-10-4-5-12-22(17,20)21/h6-8,13H,3-5,9-12H2,1-2H3
InChIKeyFQPJBLFWUPKZBS-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.16
Rot. Bonds5

About 3-(1,1-dioxothiazinan-2-yl)-N-ethyl-N-(3-methylphenyl)propanamide

3-(1,1-dioxothiazinan-2-yl)-N-ethyl-N-(3-methylphenyl)propanamide (PubChem CID 110687960) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 3-(1,1-dioxothiazinan-2-yl)-N-ethyl-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(1,1-dioxothiazinan-2-yl)-N-ethyl-N-(3-methylphenyl)propanamide
PubChem CID110687960
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name3-(1,1-dioxothiazinan-2-yl)-N-ethyl-N-(3-methylphenyl)propanamide
SMILESCCN(C(=O)CCN1CCCCS1(=O)=O)c1cccc(C)c1
InChIInChI=1S/C16H24N2O3S/c1-3-18(15-8-6-7-14(2)13-15)16(19)9-11-17-10-4-5-12-22(17,20)21/h6-8,13H,3-5,9-12H2,1-2H3
InChIKeyFQPJBLFWUPKZBS-UHFFFAOYSA-N
XLogP2.16
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119
ethyl 4-(N-ethyl-3-methylanilino)-4-oxobutanoate
CID 60737731
N-ethyl-N-(3-methylphenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 110295025
N-ethyl-3-(N-ethylanilino)-N-(3-methylphenyl)propanamide
CID 109036586
3-(N-ethyl-3-methylanilino)-3-oxopropane-1-sulfonyl chloride
CID 98489365
3-[butyl(methyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide
CID 109032470
3-(4-acetylpiperazin-1-yl)-N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-3-oxopropanamide
CID 108961312
N-ethyl-N,2-bis(3-methylphenyl)acetamide
CID 113099036
2-(N-acetyl-3-methylanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113167645
N-ethyl-3-(2-ethylpiperidin-1-yl)-N-(3-methylphenyl)-3-oxopropanamide
CID 108952293
N-ethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-N-(3-methylphenyl)propanamide
CID 109042621
N-ethyl-N-(3-methylphenyl)cyclohexanecarboxamide
CID 533210

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothiazinan-2-yl)-N-ethyl-N-(3-methylphenyl)propanamide?
The IUPAC name of 3-(1,1-dioxothiazinan-2-yl)-N-ethyl-N-(3-methylphenyl)propanamide (CID 110687960) is 3-(1,1-dioxothiazinan-2-yl)-N-ethyl-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-(1,1-dioxothiazinan-2-yl)-N-ethyl-N-(3-methylphenyl)propanamide?
The canonical SMILES for 3-(1,1-dioxothiazinan-2-yl)-N-ethyl-N-(3-methylphenyl)propanamide is CCN(C(=O)CCN1CCCCS1(=O)=O)c1cccc(C)c1.
What is the InChIKey of 3-(1,1-dioxothiazinan-2-yl)-N-ethyl-N-(3-methylphenyl)propanamide?
The InChIKey is FQPJBLFWUPKZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-3-18(15-8-6-7-14(2)13-15)16(19)9-11-17-10-4-5-12-22(17,20)21/h6-8,13H,3-5,9-12H2,1-2H3.
What are the key properties of 3-(1,1-dioxothiazinan-2-yl)-N-ethyl-N-(3-methylphenyl)propanamide?
3-(1,1-dioxothiazinan-2-yl)-N-ethyl-N-(3-methylphenyl)propanamide has a molecular weight of 324.45 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxothiazinan-2-yl)-N-ethyl-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 110687960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).