2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N,N-dimethylacetamide

C12H16N2O5S — CID 967565

IUPAC2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O
InChIInChI=1S/C12H16N2O5S/c1-13(2)12(15)7-14(20(3,16)17)9-4-5-10-11(6-9)19-8-18-10/h4-6H,7-8H2,1-3H3
InChIKeyASECUWZPJVHMRL-UHFFFAOYSA-N
MW300.34 g/mol
LogP0.27
Rot. Bonds4

About 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N,N-dimethylacetamide

2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N,N-dimethylacetamide (PubChem CID 967565) has the molecular formula C12H16N2O5S and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N,N-dimethylacetamide
PubChem CID967565
Molecular FormulaC12H16N2O5S
Molecular Weight300.34 g/mol
Exact Mass300.08
IUPAC Name2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O
InChIInChI=1S/C12H16N2O5S/c1-13(2)12(15)7-14(20(3,16)17)9-4-5-10-11(6-9)19-8-18-10/h4-6H,7-8H2,1-3H3
InChIKeyASECUWZPJVHMRL-UHFFFAOYSA-N
XLogP0.27
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-(piperidin-1-yl)acetamide
CID 760826
N-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 863856
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 2279484
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]methanesulfonamide
CID 895245
N-(1,3-benzodioxol-5-yl)-2-(morpholin-4-yl)acetamide
CID 1537070
N-(2-Azepan-1-yl-2-oxo-ethyl)-N-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-methanesulfonamide
CID 2943924
N-Benzo[1,3]dioxol-5-yl-2-(methanesulfonyl-phenyl-amino)-acetamide
CID 645332
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-methoxyphenyl)methanesulfonamide
CID 815973
methyl N-1,3-benzodioxol-5-yl-N-(methylsulfonyl)glycinate
CID 967265
2-[Benzenesulfonyl-(3-methoxy-phenyl)-amino]-N-benzo[1,3]dioxol-5-yl-acetamide
CID 1000949
N~1~-1,3-benzodioxol-5-yl-N~2~-benzyl-N~2~-(methylsulfonyl)glycinamide
CID 1082608
N-Benzo[1,3]dioxol-5-yl-2-[(4-methoxy-benzenesulfonyl)-methyl-amino]-acetamide
CID 1082964

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N,N-dimethylacetamide (CID 967565) is 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N,N-dimethylacetamide is CN(C)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O.
What is the InChIKey of 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N,N-dimethylacetamide?
The InChIKey is ASECUWZPJVHMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5S/c1-13(2)12(15)7-14(20(3,16)17)9-4-5-10-11(6-9)19-8-18-10/h4-6H,7-8H2,1-3H3.
What are the key properties of 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N,N-dimethylacetamide?
2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N,N-dimethylacetamide has a molecular weight of 300.34 g/mol, XLogP of 0.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N,N-dimethylacetamide is sourced from PubChem (CID 967565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).