1-tert-butyl-3-propan-2-yl-2-sulfanylideneimidazolidin-4-one

C10H18N2OS — CID 129310429

IUPAC1-tert-butyl-3-propan-2-yl-2-sulfanylideneimidazolidin-4-one
SMILESCC(C)N1C(=O)CN(C(C)(C)C)C1=S
InChIInChI=1S/C10H18N2OS/c1-7(2)12-8(13)6-11(9(12)14)10(3,4)5/h7H,6H2,1-5H3
InChIKeyIMKINZMYKJWAED-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.62
Rot. Bonds1

About 1-tert-butyl-3-propan-2-yl-2-sulfanylideneimidazolidin-4-one

1-tert-butyl-3-propan-2-yl-2-sulfanylideneimidazolidin-4-one (PubChem CID 129310429) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 1-tert-butyl-3-propan-2-yl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name1-tert-butyl-3-propan-2-yl-2-sulfanylideneimidazolidin-4-one
PubChem CID129310429
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name1-tert-butyl-3-propan-2-yl-2-sulfanylideneimidazolidin-4-one
SMILESCC(C)N1C(=O)CN(C(C)(C)C)C1=S
InChIInChI=1S/C10H18N2OS/c1-7(2)12-8(13)6-11(9(12)14)10(3,4)5/h7H,6H2,1-5H3
InChIKeyIMKINZMYKJWAED-UHFFFAOYSA-N
XLogP1.62
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-propan-2-yl-2-sulfanylideneimidazolidin-4-one;1-ethyl-3-propan-2-yl-4-sulfanylideneimidazolidin-2-one
CID 161355808
1-methyl-3-propan-2-ylimidazolidine-2,4-dione
CID 18669456
1-tert-butyl-4-methylpiperazine-2,5-dione
CID 117026304
1-tert-butyl-4-propan-2-ylpiperazine-2,6-dione
CID 59551071
1-tert-butyl-3-[5-(3-tert-butyl-2-sulfanylideneimidazolidin-1-yl)-5-methylhexan-2-yl]imidazolidin-2-one
CID 155369935
1-tert-butyl-4-(3-methylbutanoyl)piperazin-2-one
CID 110873631
1-tert-butyl-3-propan-2-yl-1,3-diazinan-2-one
CID 131992272
1,3-ditert-butyl-4-propan-2-yl-2H-pyrrol-5-one
CID 164786431
1,3-di(propan-2-yl)-1,3-diazinane-2,4-dione
CID 60644562
1-tert-butyl-4-(2-methylpropylsulfanyl)pyrrolidin-2-one
CID 126549617
1,3-ditert-butylimidazolidine-2-thione;1,3-ditert-butylimidazolidin-2-one;2,6-ditert-butylthiazinane 1,1-dioxide;2,5-ditert-butyl-1,2-thiazolidine 1,1-dioxide
CID 161211223
1-tert-butylpyrrolidin-2-one;ethane
CID 143067264

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-propan-2-yl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 1-tert-butyl-3-propan-2-yl-2-sulfanylideneimidazolidin-4-one (CID 129310429) is 1-tert-butyl-3-propan-2-yl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 1-tert-butyl-3-propan-2-yl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 1-tert-butyl-3-propan-2-yl-2-sulfanylideneimidazolidin-4-one is CC(C)N1C(=O)CN(C(C)(C)C)C1=S.
What is the InChIKey of 1-tert-butyl-3-propan-2-yl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is IMKINZMYKJWAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-7(2)12-8(13)6-11(9(12)14)10(3,4)5/h7H,6H2,1-5H3.
What are the key properties of 1-tert-butyl-3-propan-2-yl-2-sulfanylideneimidazolidin-4-one?
1-tert-butyl-3-propan-2-yl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 214.33 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-propan-2-yl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 129310429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).