5-(2-methylpropyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one

C10H16N2OS — CID 3032361

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IUPAC5-(2-methylpropyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
SMILESC=CCN1C(=O)C(CC(C)C)NC1=S
InChIInChI=1S/C10H16N2OS/c1-4-5-12-9(13)8(6-7(2)3)11-10(12)14/h4,7-8H,1,5-6H2,2-3H3,(H,11,14)
InChIKeyRATGSRSDPNECNO-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.30
Rot. Bonds4

About 5-(2-methylpropyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one

5-(2-methylpropyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 3032361) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 5-(2-methylpropyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name5-(2-methylpropyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
PubChem CID3032361
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name5-(2-methylpropyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
SMILESC=CCN1C(=O)C(CC(C)C)NC1=S
InChIInChI=1S/C10H16N2OS/c1-4-5-12-9(13)8(6-7(2)3)11-10(12)14/h4,7-8H,1,5-6H2,2-3H3,(H,11,14)
InChIKeyRATGSRSDPNECNO-UHFFFAOYSA-N
XLogP1.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Imidazolidinone, 3-methyl-5-(2-methylpropyl)-2-thioxo-
CID 3034688
3-Cyclohexyl-5-isobutyl-2-thioxoimidazolidin-4-one
CID 2900809
3-Allyl-5-sec-butyl-2-thioxoimidazolidin-4-one
CID 3028856
N-allyl-N'-[4-(1-allyl-5-oxo-2-thioxoimidazolidin-4-yl)butyl]thiourea
CID 12005337
3-(Prop-2-en-1-yl)-5-propyl-2-sulfanyl-3,5-dihydro-4H-imidazol-4-one
CID 3037984
4-Imidazolidinone, 3-ethyl-5-(2-methylpropyl)-2-thioxo-
CID 3039727
Hydantoin, 3-(3-(dimethylamino)propyl)-5-isobutyl-2-thio-
CID 3070457
Hydantoin, 5-sec-butyl-3-(3-(dimethylamino)propyl)-2-thio-
CID 3070458
Hydantoin, 3-(3-(diethylamino)propyl)-5-isobutyl-2-thio-
CID 3070461
Hydantoin, 5-sec-butyl-3-(3-(diethylamino)propyl)-2-thio-
CID 3070462
3-Allyl-5-butyl-2-thioxo-imidazolidin-4-one
CID 2901579
(5S)-1-acetyl-5-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one
CID 56951615

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 5-(2-methylpropyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one (CID 3032361) is 5-(2-methylpropyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 5-(2-methylpropyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 5-(2-methylpropyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one is C=CCN1C(=O)C(CC(C)C)NC1=S.
What is the InChIKey of 5-(2-methylpropyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is RATGSRSDPNECNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-4-5-12-9(13)8(6-7(2)3)11-10(12)14/h4,7-8H,1,5-6H2,2-3H3,(H,11,14).
What are the key properties of 5-(2-methylpropyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one?
5-(2-methylpropyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 212.32 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 3032361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).