2-(2,6-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide

C15H22N2O3S — CID 109001910

IUPAC2-(2,6-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
SMILESCc1cccc(C)c1NCC(=O)N(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H22N2O3S/c1-11-5-4-6-12(2)15(11)16-9-14(18)17(3)13-7-8-21(19,20)10-13/h4-6,13,16H,7-10H2,1-3H3
InChIKeyLLKOZXVNYOBMJV-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.36
Rot. Bonds4

About 2-(2,6-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide

2-(2,6-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide (PubChem CID 109001910) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-(2,6-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(2,6-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
PubChem CID109001910
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name2-(2,6-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
SMILESCc1cccc(C)c1NCC(=O)N(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H22N2O3S/c1-11-5-4-6-12(2)15(11)16-9-14(18)17(3)13-7-8-21(19,20)10-13/h4-6,13,16H,7-10H2,1-3H3
InChIKeyLLKOZXVNYOBMJV-UHFFFAOYSA-N
XLogP1.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N'-bis(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropanediamide
CID 108949171
2-[4-(dimethylamino)anilino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 109001942
N-(1,1-dioxothiolan-3-yl)-N-methyl-3-(2,4,6-trimethylanilino)propanamide
CID 109026631
N-[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 51238277
2-[(2,4-dimethylphenyl)sulfonylamino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 112993836
2-[5-(dimethylsulfamoyl)-2-methylanilino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 43019205
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(4-propan-2-yloxyanilino)acetamide
CID 109001931
N'-(1,1-dioxothiolan-3-yl)-N'-methyl-N-(3-methylphenyl)propanediamide
CID 108949205
2-[2-(azepan-1-yl)anilino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 42891319
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[2-(2,2,2-trifluoroethoxy)anilino]acetamide
CID 46551960
2-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 60671834
2-acetamido-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 110687013

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide?
The IUPAC name of 2-(2,6-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide (CID 109001910) is 2-(2,6-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide.
What is the SMILES notation for 2-(2,6-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide?
The canonical SMILES for 2-(2,6-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide is Cc1cccc(C)c1NCC(=O)N(C)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-(2,6-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide?
The InChIKey is LLKOZXVNYOBMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-11-5-4-6-12(2)15(11)16-9-14(18)17(3)13-7-8-21(19,20)10-13/h4-6,13,16H,7-10H2,1-3H3.
What are the key properties of 2-(2,6-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide?
2-(2,6-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide has a molecular weight of 310.42 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide is sourced from PubChem (CID 109001910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).