1-pentylsulfonylimidazolidin-2-one

C8H16N2O3S — CID 67001812

IUPAC1-pentylsulfonylimidazolidin-2-one
SMILESCCCCCS(=O)(=O)N1CCNC1=O
InChIInChI=1S/C8H16N2O3S/c1-2-3-4-7-14(12,13)10-6-5-9-8(10)11/h2-7H2,1H3,(H,9,11)
InChIKeyHAPYICMUFOUIJL-UHFFFAOYSA-N
MW220.29 g/mol
LogP0.53
Rot. Bonds5

About 1-pentylsulfonylimidazolidin-2-one

1-pentylsulfonylimidazolidin-2-one (PubChem CID 67001812) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is 1-pentylsulfonylimidazolidin-2-one.

Molecular Properties

Compound Name1-pentylsulfonylimidazolidin-2-one
PubChem CID67001812
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC Name1-pentylsulfonylimidazolidin-2-one
SMILESCCCCCS(=O)(=O)N1CCNC1=O
InChIInChI=1S/C8H16N2O3S/c1-2-3-4-7-14(12,13)10-6-5-9-8(10)11/h2-7H2,1H3,(H,9,11)
InChIKeyHAPYICMUFOUIJL-UHFFFAOYSA-N
XLogP0.53
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-pentylsulfonylimidazolidin-2-one?
The IUPAC name of 1-pentylsulfonylimidazolidin-2-one (CID 67001812) is 1-pentylsulfonylimidazolidin-2-one.
What is the SMILES notation for 1-pentylsulfonylimidazolidin-2-one?
The canonical SMILES for 1-pentylsulfonylimidazolidin-2-one is CCCCCS(=O)(=O)N1CCNC1=O.
What is the InChIKey of 1-pentylsulfonylimidazolidin-2-one?
The InChIKey is HAPYICMUFOUIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c1-2-3-4-7-14(12,13)10-6-5-9-8(10)11/h2-7H2,1H3,(H,9,11).
What are the key properties of 1-pentylsulfonylimidazolidin-2-one?
1-pentylsulfonylimidazolidin-2-one has a molecular weight of 220.29 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentylsulfonylimidazolidin-2-one is sourced from PubChem (CID 67001812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).