5,5-dipropyl-2-sulfanylideneimidazolidin-4-one

C9H16N2OS — CID 82997958

IUPAC5,5-dipropyl-2-sulfanylideneimidazolidin-4-one
SMILESCCCC1(CCC)NC(=S)NC1=O
InChIInChI=1S/C9H16N2OS/c1-3-5-9(6-4-2)7(12)10-8(13)11-9/h3-6H2,1-2H3,(H2,10,11,12,13)
InChIKeyOLMBRQXMZUAADN-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.33
Rot. Bonds4

About 5,5-dipropyl-2-sulfanylideneimidazolidin-4-one

5,5-dipropyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 82997958) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 5,5-dipropyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name5,5-dipropyl-2-sulfanylideneimidazolidin-4-one
PubChem CID82997958
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name5,5-dipropyl-2-sulfanylideneimidazolidin-4-one
SMILESCCCC1(CCC)NC(=S)NC1=O
InChIInChI=1S/C9H16N2OS/c1-3-5-9(6-4-2)7(12)10-8(13)11-9/h3-6H2,1-2H3,(H2,10,11,12,13)
InChIKeyOLMBRQXMZUAADN-UHFFFAOYSA-N
XLogP1.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,5-dipropyl-2,6-bis(sulfanylidene)-1,3-diazinan-4-one
CID 71675967
5-benzyl-5-ethyl-2-sulfanylideneimidazolidin-4-one
CID 82997586
5-octyl-5-pentylimidazolidine-2,4-dione
CID 21324142
CID 131883137
CID 131883137
5-ethyl-5-pentyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3033572
5-[(Z,2S)-pent-3-en-2-yl]-5-propyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 92524095
8-propyl-2-sulfanylidene-1,3,8-triazaspiro[4.5]decan-4-one
CID 82997209
sodium;5,5-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione;hydride
CID 173031111
5-(1-butylsulfanylethyl)-5-propyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3033438
8-ethyl-2-sulfanylidene-1,3-diazaspiro[4.5]decan-4-one
CID 82996588
(5S)-5-methyl-5-propan-2-yl-2-sulfanylideneimidazolidin-4-one
CID 139085548
5-ethyl-5-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 82997213

Frequently Asked Questions

What is the IUPAC name of 5,5-dipropyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 5,5-dipropyl-2-sulfanylideneimidazolidin-4-one (CID 82997958) is 5,5-dipropyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 5,5-dipropyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 5,5-dipropyl-2-sulfanylideneimidazolidin-4-one is CCCC1(CCC)NC(=S)NC1=O.
What is the InChIKey of 5,5-dipropyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is OLMBRQXMZUAADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-3-5-9(6-4-2)7(12)10-8(13)11-9/h3-6H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 5,5-dipropyl-2-sulfanylideneimidazolidin-4-one?
5,5-dipropyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 200.31 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dipropyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 82997958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).