2,2-bis(ethylsulfonyl)acetamide

C6H13NO5S2 — CID 57211118

IUPAC2,2-bis(ethylsulfonyl)acetamide
SMILESCCS(=O)(=O)C(C(N)=O)S(=O)(=O)CC
InChIInChI=1S/C6H13NO5S2/c1-3-13(9,10)6(5(7)8)14(11,12)4-2/h6H,3-4H2,1-2H3,(H2,7,8)
InChIKeyDHBOIKKTFAUCRE-UHFFFAOYSA-N
MW243.31 g/mol
LogP-1.33
Rot. Bonds5

About 2,2-bis(ethylsulfonyl)acetamide

2,2-bis(ethylsulfonyl)acetamide (PubChem CID 57211118) has the molecular formula C6H13NO5S2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2,2-bis(ethylsulfonyl)acetamide.

Molecular Properties

Compound Name2,2-bis(ethylsulfonyl)acetamide
PubChem CID57211118
Molecular FormulaC6H13NO5S2
Molecular Weight243.31 g/mol
Exact Mass243.02
IUPAC Name2,2-bis(ethylsulfonyl)acetamide
SMILESCCS(=O)(=O)C(C(N)=O)S(=O)(=O)CC
InChIInChI=1S/C6H13NO5S2/c1-3-13(9,10)6(5(7)8)14(11,12)4-2/h6H,3-4H2,1-2H3,(H2,7,8)
InChIKeyDHBOIKKTFAUCRE-UHFFFAOYSA-N
XLogP-1.33
TPSA111.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-1.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-ethylsulfonylacetamide
CID 154362595
ethanesulfonic acid;urea
CID 159375044
2-(1-amino-1-oxobutan-2-yl)sulfonylacetic acid
CID 62899487
2,2-bis(trifluoromethylsulfonyl)acetamide
CID 139995086
2-amino-1-ethylsulfonylethanol
CID 117037412
2-methylsulfonylpentanamide
CID 87057703
methyl 2-ethylsulfonylbutanoate
CID 117037767
1-bromo-1-ethylsulfonylpropan-2-one
CID 102549562
2-chloro-2-ethylsulfonylacetic acid
CID 88794676
4-amino-2-ethylsulfonylbutanoic acid
CID 64694447
methyl 2-ethylsulfonyl-3-methylbutanoate
CID 117037776
butane;2-hydroxypropanamide
CID 87347972

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(ethylsulfonyl)acetamide?
The IUPAC name of 2,2-bis(ethylsulfonyl)acetamide (CID 57211118) is 2,2-bis(ethylsulfonyl)acetamide.
What is the SMILES notation for 2,2-bis(ethylsulfonyl)acetamide?
The canonical SMILES for 2,2-bis(ethylsulfonyl)acetamide is CCS(=O)(=O)C(C(N)=O)S(=O)(=O)CC.
What is the InChIKey of 2,2-bis(ethylsulfonyl)acetamide?
The InChIKey is DHBOIKKTFAUCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO5S2/c1-3-13(9,10)6(5(7)8)14(11,12)4-2/h6H,3-4H2,1-2H3,(H2,7,8).
What are the key properties of 2,2-bis(ethylsulfonyl)acetamide?
2,2-bis(ethylsulfonyl)acetamide has a molecular weight of 243.31 g/mol, XLogP of -1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(ethylsulfonyl)acetamide is sourced from PubChem (CID 57211118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).