1,5-bis(ethenylsulfonyl)pentan-3-one

C9H14O5S2 — CID 14512333

IUPAC1,5-bis(ethenylsulfonyl)pentan-3-one
SMILESC=CS(=O)(=O)CCC(=O)CCS(=O)(=O)C=C
InChIInChI=1S/C9H14O5S2/c1-3-15(11,12)7-5-9(10)6-8-16(13,14)4-2/h3-4H,1-2,5-8H2
InChIKeyYVRVRPXGLNYHIZ-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.45
Rot. Bonds8

About 1,5-bis(ethenylsulfonyl)pentan-3-one

1,5-bis(ethenylsulfonyl)pentan-3-one (PubChem CID 14512333) has the molecular formula C9H14O5S2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1,5-bis(ethenylsulfonyl)pentan-3-one.

Molecular Properties

Compound Name1,5-bis(ethenylsulfonyl)pentan-3-one
PubChem CID14512333
Molecular FormulaC9H14O5S2
Molecular Weight266.34 g/mol
Exact Mass266.03
IUPAC Name1,5-bis(ethenylsulfonyl)pentan-3-one
SMILESC=CS(=O)(=O)CCC(=O)CCS(=O)(=O)C=C
InChIInChI=1S/C9H14O5S2/c1-3-15(11,12)7-5-9(10)6-8-16(13,14)4-2/h3-4H,1-2,5-8H2
InChIKeyYVRVRPXGLNYHIZ-UHFFFAOYSA-N
XLogP0.45
TPSA85.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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(1R)-1,3-bis(ethenylsulfonyl)propan-1-ol
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1-ethenylsulfonyl-3-methoxypropane
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2-ethenylsulfonylethyl N-(2-aminoethyl)carbamate
CID 58003244
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(2R)-3-ethenylsulfonyl-2-methylpropanamide
CID 6950445
N-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-ethenylsulfonylpropanamide
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CID 154785487

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(ethenylsulfonyl)pentan-3-one?
The IUPAC name of 1,5-bis(ethenylsulfonyl)pentan-3-one (CID 14512333) is 1,5-bis(ethenylsulfonyl)pentan-3-one.
What is the SMILES notation for 1,5-bis(ethenylsulfonyl)pentan-3-one?
The canonical SMILES for 1,5-bis(ethenylsulfonyl)pentan-3-one is C=CS(=O)(=O)CCC(=O)CCS(=O)(=O)C=C.
What is the InChIKey of 1,5-bis(ethenylsulfonyl)pentan-3-one?
The InChIKey is YVRVRPXGLNYHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O5S2/c1-3-15(11,12)7-5-9(10)6-8-16(13,14)4-2/h3-4H,1-2,5-8H2.
What are the key properties of 1,5-bis(ethenylsulfonyl)pentan-3-one?
1,5-bis(ethenylsulfonyl)pentan-3-one has a molecular weight of 266.34 g/mol, XLogP of 0.45, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(ethenylsulfonyl)pentan-3-one is sourced from PubChem (CID 14512333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).