5-heptyl-2-sulfanylideneimidazolidin-4-one

C10H18N2OS — CID 3002030

IUPAC5-heptyl-2-sulfanylideneimidazolidin-4-one
SMILESCCCCCCCC1NC(=S)NC1=O
InChIInChI=1S/C10H18N2OS/c1-2-3-4-5-6-7-8-9(13)12-10(14)11-8/h8H,2-7H2,1H3,(H2,11,12,13,14)
InChIKeyDRWNMFYYQBAAHZ-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.72
Rot. Bonds6

About 5-heptyl-2-sulfanylideneimidazolidin-4-one

5-heptyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 3002030) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 5-heptyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name5-heptyl-2-sulfanylideneimidazolidin-4-one
PubChem CID3002030
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name5-heptyl-2-sulfanylideneimidazolidin-4-one
SMILESCCCCCCCC1NC(=S)NC1=O
InChIInChI=1S/C10H18N2OS/c1-2-3-4-5-6-7-8-9(13)12-10(14)11-8/h8H,2-7H2,1H3,(H2,11,12,13,14)
InChIKeyDRWNMFYYQBAAHZ-UHFFFAOYSA-N
XLogP1.72
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-heptyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 5-heptyl-2-sulfanylideneimidazolidin-4-one (CID 3002030) is 5-heptyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 5-heptyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 5-heptyl-2-sulfanylideneimidazolidin-4-one is CCCCCCCC1NC(=S)NC1=O.
What is the InChIKey of 5-heptyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is DRWNMFYYQBAAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-2-3-4-5-6-7-8-9(13)12-10(14)11-8/h8H,2-7H2,1H3,(H2,11,12,13,14).
What are the key properties of 5-heptyl-2-sulfanylideneimidazolidin-4-one?
5-heptyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 214.33 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-heptyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 3002030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).