N-(dimethylsulfamoyl)-2-propan-2-ylsulfonylacetamide

C7H16N2O5S2 — CID 137433624

IUPACN-(dimethylsulfamoyl)-2-propan-2-ylsulfonylacetamide
SMILESCC(C)S(=O)(=O)CC(=O)NS(=O)(=O)N(C)C
InChIInChI=1S/C7H16N2O5S2/c1-6(2)15(11,12)5-7(10)8-16(13,14)9(3)4/h6H,5H2,1-4H3,(H,8,10)
InChIKeyVYYJWVZTFMWSBN-UHFFFAOYSA-N
MW272.35 g/mol
LogP-1.27
Rot. Bonds5

About N-(dimethylsulfamoyl)-2-propan-2-ylsulfonylacetamide

N-(dimethylsulfamoyl)-2-propan-2-ylsulfonylacetamide (PubChem CID 137433624) has the molecular formula C7H16N2O5S2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(dimethylsulfamoyl)-2-propan-2-ylsulfonylacetamide.

Molecular Properties

Compound NameN-(dimethylsulfamoyl)-2-propan-2-ylsulfonylacetamide
PubChem CID137433624
Molecular FormulaC7H16N2O5S2
Molecular Weight272.35 g/mol
Exact Mass272.05
IUPAC NameN-(dimethylsulfamoyl)-2-propan-2-ylsulfonylacetamide
SMILESCC(C)S(=O)(=O)CC(=O)NS(=O)(=O)N(C)C
InChIInChI=1S/C7H16N2O5S2/c1-6(2)15(11,12)5-7(10)8-16(13,14)9(3)4/h6H,5H2,1-4H3,(H,8,10)
InChIKeyVYYJWVZTFMWSBN-UHFFFAOYSA-N
XLogP-1.27
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 5-1.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(dimethylsulfamoyl)-2-propan-2-ylsulfonylacetamide?
The IUPAC name of N-(dimethylsulfamoyl)-2-propan-2-ylsulfonylacetamide (CID 137433624) is N-(dimethylsulfamoyl)-2-propan-2-ylsulfonylacetamide.
What is the SMILES notation for N-(dimethylsulfamoyl)-2-propan-2-ylsulfonylacetamide?
The canonical SMILES for N-(dimethylsulfamoyl)-2-propan-2-ylsulfonylacetamide is CC(C)S(=O)(=O)CC(=O)NS(=O)(=O)N(C)C.
What is the InChIKey of N-(dimethylsulfamoyl)-2-propan-2-ylsulfonylacetamide?
The InChIKey is VYYJWVZTFMWSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O5S2/c1-6(2)15(11,12)5-7(10)8-16(13,14)9(3)4/h6H,5H2,1-4H3,(H,8,10).
What are the key properties of N-(dimethylsulfamoyl)-2-propan-2-ylsulfonylacetamide?
N-(dimethylsulfamoyl)-2-propan-2-ylsulfonylacetamide has a molecular weight of 272.35 g/mol, XLogP of -1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylsulfamoyl)-2-propan-2-ylsulfonylacetamide is sourced from PubChem (CID 137433624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).