ethane;2-ethenylsulfonyl-N-[2-[(2-ethenylsulfonylacetyl)amino]ethyl]acetamide

C12H22N2O6S2 — CID 22255877

IUPACethane;2-ethenylsulfonyl-N-[2-[(2-ethenylsulfonylacetyl)amino]ethyl]acetamide
SMILESC=CS(=O)(=O)CC(=O)NCCNC(=O)CS(=O)(=O)C=C.CC
InChIInChI=1S/C10H16N2O6S2.C2H6/c1-3-19(15,16)7-9(13)11-5-6-12-10(14)8-20(17,18)4-2;1-2/h3-4H,1-2,5-8H2,(H,11,13)(H,12,14);1-2H3
InChIKeyZMYGMDGWVGLYBL-UHFFFAOYSA-N
MW354.45 g/mol
LogP-0.64
Rot. Bonds9

About ethane;2-ethenylsulfonyl-N-[2-[(2-ethenylsulfonylacetyl)amino]ethyl]acetamide

ethane;2-ethenylsulfonyl-N-[2-[(2-ethenylsulfonylacetyl)amino]ethyl]acetamide (PubChem CID 22255877) has the molecular formula C12H22N2O6S2 and a molecular weight of 354.45 g/mol. Its IUPAC name is ethane;2-ethenylsulfonyl-N-[2-[(2-ethenylsulfonylacetyl)amino]ethyl]acetamide.

Molecular Properties

Compound Nameethane;2-ethenylsulfonyl-N-[2-[(2-ethenylsulfonylacetyl)amino]ethyl]acetamide
PubChem CID22255877
Molecular FormulaC12H22N2O6S2
Molecular Weight354.45 g/mol
Exact Mass354.09
IUPAC Nameethane;2-ethenylsulfonyl-N-[2-[(2-ethenylsulfonylacetyl)amino]ethyl]acetamide
SMILESC=CS(=O)(=O)CC(=O)NCCNC(=O)CS(=O)(=O)C=C.CC
InChIInChI=1S/C10H16N2O6S2.C2H6/c1-3-19(15,16)7-9(13)11-5-6-12-10(14)8-20(17,18)4-2;1-2/h3-4H,1-2,5-8H2,(H,11,13)(H,12,14);1-2H3
InChIKeyZMYGMDGWVGLYBL-UHFFFAOYSA-N
XLogP-0.64
TPSA126.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethenylsulfonyl-N-[2-[(2-ethenylsulfonylacetyl)amino]ethyl]acetamide?
The IUPAC name of ethane;2-ethenylsulfonyl-N-[2-[(2-ethenylsulfonylacetyl)amino]ethyl]acetamide (CID 22255877) is ethane;2-ethenylsulfonyl-N-[2-[(2-ethenylsulfonylacetyl)amino]ethyl]acetamide.
What is the SMILES notation for ethane;2-ethenylsulfonyl-N-[2-[(2-ethenylsulfonylacetyl)amino]ethyl]acetamide?
The canonical SMILES for ethane;2-ethenylsulfonyl-N-[2-[(2-ethenylsulfonylacetyl)amino]ethyl]acetamide is C=CS(=O)(=O)CC(=O)NCCNC(=O)CS(=O)(=O)C=C.CC.
What is the InChIKey of ethane;2-ethenylsulfonyl-N-[2-[(2-ethenylsulfonylacetyl)amino]ethyl]acetamide?
The InChIKey is ZMYGMDGWVGLYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O6S2.C2H6/c1-3-19(15,16)7-9(13)11-5-6-12-10(14)8-20(17,18)4-2;1-2/h3-4H,1-2,5-8H2,(H,11,13)(H,12,14);1-2H3.
What are the key properties of ethane;2-ethenylsulfonyl-N-[2-[(2-ethenylsulfonylacetyl)amino]ethyl]acetamide?
ethane;2-ethenylsulfonyl-N-[2-[(2-ethenylsulfonylacetyl)amino]ethyl]acetamide has a molecular weight of 354.45 g/mol, XLogP of -0.64, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethenylsulfonyl-N-[2-[(2-ethenylsulfonylacetyl)amino]ethyl]acetamide is sourced from PubChem (CID 22255877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).