1,2-bis(ethenylsulfonyl)-2-(ethylamino)ethanone

C8H13NO5S2 — CID 141157491

IUPAC1,2-bis(ethenylsulfonyl)-2-(ethylamino)ethanone
SMILESC=CS(=O)(=O)C(=O)C(NCC)S(=O)(=O)C=C
InChIInChI=1S/C8H13NO5S2/c1-4-9-7(15(11,12)5-2)8(10)16(13,14)6-3/h5-7,9H,2-4H2,1H3
InChIKeyURBCKIXIXJBSSQ-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.43
Rot. Bonds6

About 1,2-bis(ethenylsulfonyl)-2-(ethylamino)ethanone

1,2-bis(ethenylsulfonyl)-2-(ethylamino)ethanone (PubChem CID 141157491) has the molecular formula C8H13NO5S2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1,2-bis(ethenylsulfonyl)-2-(ethylamino)ethanone.

Molecular Properties

Compound Name1,2-bis(ethenylsulfonyl)-2-(ethylamino)ethanone
PubChem CID141157491
Molecular FormulaC8H13NO5S2
Molecular Weight267.33 g/mol
Exact Mass267.02
IUPAC Name1,2-bis(ethenylsulfonyl)-2-(ethylamino)ethanone
SMILESC=CS(=O)(=O)C(=O)C(NCC)S(=O)(=O)C=C
InChIInChI=1S/C8H13NO5S2/c1-4-9-7(15(11,12)5-2)8(10)16(13,14)6-3/h5-7,9H,2-4H2,1H3
InChIKeyURBCKIXIXJBSSQ-UHFFFAOYSA-N
XLogP-0.43
TPSA97.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-amino-2-(ethylamino)ethyl]prop-2-enamide
CID 138461440
bis(ethenylsulfonyl)methanol
CID 87959265
(3S)-2,3-bis(ethenylsulfonyl)butane
CID 159569958
2,3-bis(ethenylsulfonyl)butane
CID 158758752
2-ethenylsulfonylbutanal
CID 173386551
2-(ethylamino)pent-4-enamide
CID 129260438
2-[[ethenyl(dihydroxy)-λ4-sulfanyl]amino]-N-ethylacetamide
CID 169217589
(E)-N,N'-diethylbut-2-enediamide
CID 22015135
[1-(ethylamino)-2-prop-2-enylpent-4-enyl] hydrogen sulfate
CID 138541574
2-ethenylsulfonyl-1,3-bis(ethylsulfonyl)buta-1,3-diene
CID 90813071
2-(ethylamino)propyl prop-2-enoate
CID 57196832
CID 160940736
CID 160940736

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(ethenylsulfonyl)-2-(ethylamino)ethanone?
The IUPAC name of 1,2-bis(ethenylsulfonyl)-2-(ethylamino)ethanone (CID 141157491) is 1,2-bis(ethenylsulfonyl)-2-(ethylamino)ethanone.
What is the SMILES notation for 1,2-bis(ethenylsulfonyl)-2-(ethylamino)ethanone?
The canonical SMILES for 1,2-bis(ethenylsulfonyl)-2-(ethylamino)ethanone is C=CS(=O)(=O)C(=O)C(NCC)S(=O)(=O)C=C.
What is the InChIKey of 1,2-bis(ethenylsulfonyl)-2-(ethylamino)ethanone?
The InChIKey is URBCKIXIXJBSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO5S2/c1-4-9-7(15(11,12)5-2)8(10)16(13,14)6-3/h5-7,9H,2-4H2,1H3.
What are the key properties of 1,2-bis(ethenylsulfonyl)-2-(ethylamino)ethanone?
1,2-bis(ethenylsulfonyl)-2-(ethylamino)ethanone has a molecular weight of 267.33 g/mol, XLogP of -0.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(ethenylsulfonyl)-2-(ethylamino)ethanone is sourced from PubChem (CID 141157491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).