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

C10H16N2O6S2 — CID 551576

IUPAC2-ethenylsulfonyl-N-[2-[(2-ethenylsulfonylacetyl)amino]ethyl]acetamide
SMILESC=CS(=O)(=O)CC(=O)NCCNC(=O)CS(=O)(=O)C=C
InChIInChI=1S/C10H16N2O6S2/c1-3-19(15,16)7-9(13)11-5-6-12-10(14)8-20(17,18)4-2/h3-4H,1-2,5-8H2,(H,11,13)(H,12,14)
InChIKeyQWZOJDWOQYTACD-UHFFFAOYSA-N
MW324.38 g/mol
LogP-1.66
Rot. Bonds9

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

2-ethenylsulfonyl-N-[2-[(2-ethenylsulfonylacetyl)amino]ethyl]acetamide (PubChem CID 551576) has the molecular formula C10H16N2O6S2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-ethenylsulfonyl-N-[2-[(2-ethenylsulfonylacetyl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-ethenylsulfonyl-N-[2-[(2-ethenylsulfonylacetyl)amino]ethyl]acetamide
PubChem CID551576
Molecular FormulaC10H16N2O6S2
Molecular Weight324.38 g/mol
Exact Mass324.04
IUPAC Name2-ethenylsulfonyl-N-[2-[(2-ethenylsulfonylacetyl)amino]ethyl]acetamide
SMILESC=CS(=O)(=O)CC(=O)NCCNC(=O)CS(=O)(=O)C=C
InChIInChI=1S/C10H16N2O6S2/c1-3-19(15,16)7-9(13)11-5-6-12-10(14)8-20(17,18)4-2/h3-4H,1-2,5-8H2,(H,11,13)(H,12,14)
InChIKeyQWZOJDWOQYTACD-UHFFFAOYSA-N
XLogP-1.66
TPSA126.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 5-1.66
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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Related Compounds

2-ethenylsulfonyl-N-[2-(ethenylsulfonylcarbonylamino)ethyl]acetamide
CID 118968619
2-ethenylsulfonyl-N-[5-ethenylsulfonyl-3-[(2-ethenylsulfonylacetyl)amino]-4-(ethenylsulfonylmethyl)-5-hydroxypentyl]acetamide
CID 88713858
2-ethenylsulfonylethyl N-(2-aminoethyl)carbamate
CID 58003244
sodium;N-[2-(2-ethenylsulfonylethylsulfanyl)ethyl]propanamide;propanoate
CID 165030034
tert-butyl 2-ethenylsulfonylacetate
CID 119031248
1,5-bis(ethenylsulfonyl)pentan-3-one
CID 14512333
N-(2-aminoethyl)-2-cyclopropylsulfonylacetamide
CID 84674340
2-(2-ethenylsulfonylethylamino)ethanol
CID 170994320
(2R)-3-ethenylsulfonyl-2-methylpropanamide
CID 6950445
N-propyl-2-propylsulfonylacetamide
CID 86989509
1-ethenylsulfonyl-3-methylnonan-2-one
CID 166735766
N-(2-aminoethyl)pent-4-enamide
CID 62679699

Frequently Asked Questions

What is the IUPAC name of 2-ethenylsulfonyl-N-[2-[(2-ethenylsulfonylacetyl)amino]ethyl]acetamide?
The IUPAC name of 2-ethenylsulfonyl-N-[2-[(2-ethenylsulfonylacetyl)amino]ethyl]acetamide (CID 551576) is 2-ethenylsulfonyl-N-[2-[(2-ethenylsulfonylacetyl)amino]ethyl]acetamide.
What is the SMILES notation for 2-ethenylsulfonyl-N-[2-[(2-ethenylsulfonylacetyl)amino]ethyl]acetamide?
The canonical SMILES for 2-ethenylsulfonyl-N-[2-[(2-ethenylsulfonylacetyl)amino]ethyl]acetamide is C=CS(=O)(=O)CC(=O)NCCNC(=O)CS(=O)(=O)C=C.
What is the InChIKey of 2-ethenylsulfonyl-N-[2-[(2-ethenylsulfonylacetyl)amino]ethyl]acetamide?
The InChIKey is QWZOJDWOQYTACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O6S2/c1-3-19(15,16)7-9(13)11-5-6-12-10(14)8-20(17,18)4-2/h3-4H,1-2,5-8H2,(H,11,13)(H,12,14).
What are the key properties of 2-ethenylsulfonyl-N-[2-[(2-ethenylsulfonylacetyl)amino]ethyl]acetamide?
2-ethenylsulfonyl-N-[2-[(2-ethenylsulfonylacetyl)amino]ethyl]acetamide has a molecular weight of 324.38 g/mol, XLogP of -1.66, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylsulfonyl-N-[2-[(2-ethenylsulfonylacetyl)amino]ethyl]acetamide is sourced from PubChem (CID 551576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).