3-(2,6-dimethylphenyl)-1-propan-2-yl-2-sulfanylideneimidazolidin-4-one

C14H18N2OS — CID 4852838

IUPAC3-(2,6-dimethylphenyl)-1-propan-2-yl-2-sulfanylideneimidazolidin-4-one
SMILESCc1cccc(C)c1N1C(=O)CN(C(C)C)C1=S
InChIInChI=1S/C14H18N2OS/c1-9(2)15-8-12(17)16(14(15)18)13-10(3)6-5-7-11(13)4/h5-7,9H,8H2,1-4H3
InChIKeyVRVHDAPELYNQEP-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.65
Rot. Bonds2

About 3-(2,6-dimethylphenyl)-1-propan-2-yl-2-sulfanylideneimidazolidin-4-one

3-(2,6-dimethylphenyl)-1-propan-2-yl-2-sulfanylideneimidazolidin-4-one (PubChem CID 4852838) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)-1-propan-2-yl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name3-(2,6-dimethylphenyl)-1-propan-2-yl-2-sulfanylideneimidazolidin-4-one
PubChem CID4852838
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name3-(2,6-dimethylphenyl)-1-propan-2-yl-2-sulfanylideneimidazolidin-4-one
SMILESCc1cccc(C)c1N1C(=O)CN(C(C)C)C1=S
InChIInChI=1S/C14H18N2OS/c1-9(2)15-8-12(17)16(14(15)18)13-10(3)6-5-7-11(13)4/h5-7,9H,8H2,1-4H3
InChIKeyVRVHDAPELYNQEP-UHFFFAOYSA-N
XLogP2.65
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenyl)-1-propan-2-yl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 3-(2,6-dimethylphenyl)-1-propan-2-yl-2-sulfanylideneimidazolidin-4-one (CID 4852838) is 3-(2,6-dimethylphenyl)-1-propan-2-yl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 3-(2,6-dimethylphenyl)-1-propan-2-yl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 3-(2,6-dimethylphenyl)-1-propan-2-yl-2-sulfanylideneimidazolidin-4-one is Cc1cccc(C)c1N1C(=O)CN(C(C)C)C1=S.
What is the InChIKey of 3-(2,6-dimethylphenyl)-1-propan-2-yl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is VRVHDAPELYNQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-9(2)15-8-12(17)16(14(15)18)13-10(3)6-5-7-11(13)4/h5-7,9H,8H2,1-4H3.
What are the key properties of 3-(2,6-dimethylphenyl)-1-propan-2-yl-2-sulfanylideneimidazolidin-4-one?
3-(2,6-dimethylphenyl)-1-propan-2-yl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 262.38 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenyl)-1-propan-2-yl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 4852838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).