cyclopropane;5-(1H-indol-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one

C15H17N3OS — CID 143030497

IUPACcyclopropane;5-(1H-indol-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one
SMILESC1CC1.O=C1NC(=S)NC1Cc1c[nH]c2ccccc12
InChIInChI=1S/C12H11N3OS.C3H6/c16-11-10(14-12(17)15-11)5-7-6-13-9-4-2-1-3-8(7)9;1-2-3-1/h1-4,6,10,13H,5H2,(H2,14,15,16,17);1-3H2
InChIKeyHSSRGUVMFCTIFH-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.25
Rot. Bonds2

About cyclopropane;5-(1H-indol-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one

cyclopropane;5-(1H-indol-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one (PubChem CID 143030497) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is cyclopropane;5-(1H-indol-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Namecyclopropane;5-(1H-indol-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one
PubChem CID143030497
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Namecyclopropane;5-(1H-indol-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one
SMILESC1CC1.O=C1NC(=S)NC1Cc1c[nH]c2ccccc12
InChIInChI=1S/C12H11N3OS.C3H6/c16-11-10(14-12(17)15-11)5-7-6-13-9-4-2-1-3-8(7)9;1-2-3-1/h1-4,6,10,13H,5H2,(H2,14,15,16,17);1-3H2
InChIKeyHSSRGUVMFCTIFH-UHFFFAOYSA-N
XLogP2.25
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[(6-methyl-1H-indol-3-yl)methyl]-2-sulfanylideneimidazolidin-4-one
CID 143089116
(3S)-3-(1H-indol-3-ylmethyl)-6-(2-piperidin-1-ylethyl)piperazine-2,5-dione
CID 167927830
(3S,6S)-3,6-bis(1H-indol-3-ylmethyl)-1-methylpiperazine-2,5-dione
CID 132546652
(3S,6S,9R)-3-(hydroxymethyl)-6-(1H-indol-3-ylmethyl)-9-(sulfanylmethyl)-1,4,7-triazonane-2,5,8-trione
CID 58652472
(3S)-3-(1H-indol-3-ylmethyl)piperazin-2-one;hydrochloride
CID 155822805
(3'R,9'aS)-3'-(1H-indol-3-ylmethyl)spiro[1,3-dioxane-2,7'-2,3,6,8,9,9a-hexahydropyrido[1,2-a]pyrazine]-1',4'-dione
CID 18449071
(3R,6S,9R,12S,15R,18S)-3,9,15-tris(4-aminobutyl)-6,12,18-tris(1H-indol-3-ylmethyl)-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone
CID 102280921
(3S,6S)-6-benzyl-3-(1H-indol-3-ylmethyl)-1-methylpiperazine-2,5-dione
CID 135023125
(3R,6S)-3-(1H-imidazol-5-ylmethyl)-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione
CID 38350818
(3R,6S)-1-benzyl-3-(1H-indol-3-ylmethyl)-6-methylpiperazine-2,5-dione
CID 57068910
3-(4-fluorophenyl)-5-(1H-indol-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one
CID 4614488
3-(1H-imidazol-5-ylmethylidene)-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione
CID 75614467

Frequently Asked Questions

What is the IUPAC name of cyclopropane;5-(1H-indol-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of cyclopropane;5-(1H-indol-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one (CID 143030497) is cyclopropane;5-(1H-indol-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for cyclopropane;5-(1H-indol-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for cyclopropane;5-(1H-indol-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one is C1CC1.O=C1NC(=S)NC1Cc1c[nH]c2ccccc12.
What is the InChIKey of cyclopropane;5-(1H-indol-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one?
The InChIKey is HSSRGUVMFCTIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS.C3H6/c16-11-10(14-12(17)15-11)5-7-6-13-9-4-2-1-3-8(7)9;1-2-3-1/h1-4,6,10,13H,5H2,(H2,14,15,16,17);1-3H2.
What are the key properties of cyclopropane;5-(1H-indol-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one?
cyclopropane;5-(1H-indol-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one has a molecular weight of 287.39 g/mol, XLogP of 2.25, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropane;5-(1H-indol-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 143030497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).