N-[3-(1,1-dioxothiazinan-2-yl)propyl]-2-(2-methylphenyl)acetamide

C16H24N2O3S — CID 110721036

IUPACN-[3-(1,1-dioxothiazinan-2-yl)propyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NCCCN1CCCCS1(=O)=O
InChIInChI=1S/C16H24N2O3S/c1-14-7-2-3-8-15(14)13-16(19)17-9-6-11-18-10-4-5-12-22(18,20)21/h2-3,7-8H,4-6,9-13H2,1H3,(H,17,19)
InChIKeyFOSKLHIBKZSCLU-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.47
Rot. Bonds6

About N-[3-(1,1-dioxothiazinan-2-yl)propyl]-2-(2-methylphenyl)acetamide

N-[3-(1,1-dioxothiazinan-2-yl)propyl]-2-(2-methylphenyl)acetamide (PubChem CID 110721036) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[3-(1,1-dioxothiazinan-2-yl)propyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(1,1-dioxothiazinan-2-yl)propyl]-2-(2-methylphenyl)acetamide
PubChem CID110721036
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-[3-(1,1-dioxothiazinan-2-yl)propyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NCCCN1CCCCS1(=O)=O
InChIInChI=1S/C16H24N2O3S/c1-14-7-2-3-8-15(14)13-16(19)17-9-6-11-18-10-4-5-12-22(18,20)21/h2-3,7-8H,4-6,9-13H2,1H3,(H,17,19)
InChIKeyFOSKLHIBKZSCLU-UHFFFAOYSA-N
XLogP1.47
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylphenyl)-N-(3-pyrrol-1-ylpropyl)acetamide
CID 110721082
2-(2-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 43443368
N-hex-5-ynyl-2-(2-methylphenyl)acetamide
CID 103758083
N-(5-iodopentyl)-2-(2-methylphenyl)acetamide
CID 107322612
N-(4-aminobutyl)-2-(2-methylphenyl)acetamide
CID 60893782
N-[2-(1,1-dioxothiazinan-2-yl)ethyl]propanamide
CID 110720874
5-[[2-(2-methylphenyl)acetyl]amino]pentanoic acid
CID 62033790
3-(1,1-dioxothiazinan-2-yl)-N-phenylpropanamide
CID 110687886
2-(1,1-dioxothiazinan-2-yl)-N-(3-methoxypropyl)acetamide
CID 110687646
3-(1,1-dioxothiazinan-2-yl)-N-ethylpropan-1-amine
CID 116816769
N-[2-(1,1-dioxothiazinan-2-yl)ethyl]acetamide
CID 110720873
3-(1,1-dioxothiazinan-2-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 110687853

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,1-dioxothiazinan-2-yl)propyl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[3-(1,1-dioxothiazinan-2-yl)propyl]-2-(2-methylphenyl)acetamide (CID 110721036) is N-[3-(1,1-dioxothiazinan-2-yl)propyl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[3-(1,1-dioxothiazinan-2-yl)propyl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[3-(1,1-dioxothiazinan-2-yl)propyl]-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)NCCCN1CCCCS1(=O)=O.
What is the InChIKey of N-[3-(1,1-dioxothiazinan-2-yl)propyl]-2-(2-methylphenyl)acetamide?
The InChIKey is FOSKLHIBKZSCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-14-7-2-3-8-15(14)13-16(19)17-9-6-11-18-10-4-5-12-22(18,20)21/h2-3,7-8H,4-6,9-13H2,1H3,(H,17,19).
What are the key properties of N-[3-(1,1-dioxothiazinan-2-yl)propyl]-2-(2-methylphenyl)acetamide?
N-[3-(1,1-dioxothiazinan-2-yl)propyl]-2-(2-methylphenyl)acetamide has a molecular weight of 324.45 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,1-dioxothiazinan-2-yl)propyl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 110721036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).