1-[4-(thiolan-3-ylamino)phenyl]imidazolidin-2-one

C13H17N3OS — CID 43724834

IUPAC1-[4-(thiolan-3-ylamino)phenyl]imidazolidin-2-one
SMILESO=C1NCCN1c1ccc(NC2CCSC2)cc1
InChIInChI=1S/C13H17N3OS/c17-13-14-6-7-16(13)12-3-1-10(2-4-12)15-11-5-8-18-9-11/h1-4,11,15H,5-9H2,(H,14,17)
InChIKeyVSEKQJORVDZXGH-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.13
Rot. Bonds3

About 1-[4-(thiolan-3-ylamino)phenyl]imidazolidin-2-one

1-[4-(thiolan-3-ylamino)phenyl]imidazolidin-2-one (PubChem CID 43724834) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 1-[4-(thiolan-3-ylamino)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-(thiolan-3-ylamino)phenyl]imidazolidin-2-one
PubChem CID43724834
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name1-[4-(thiolan-3-ylamino)phenyl]imidazolidin-2-one
SMILESO=C1NCCN1c1ccc(NC2CCSC2)cc1
InChIInChI=1S/C13H17N3OS/c17-13-14-6-7-16(13)12-3-1-10(2-4-12)15-11-5-8-18-9-11/h1-4,11,15H,5-9H2,(H,14,17)
InChIKeyVSEKQJORVDZXGH-UHFFFAOYSA-N
XLogP2.13
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(thiolan-3-ylamino)phenyl]imidazolidin-2-one?
The IUPAC name of 1-[4-(thiolan-3-ylamino)phenyl]imidazolidin-2-one (CID 43724834) is 1-[4-(thiolan-3-ylamino)phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[4-(thiolan-3-ylamino)phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[4-(thiolan-3-ylamino)phenyl]imidazolidin-2-one is O=C1NCCN1c1ccc(NC2CCSC2)cc1.
What is the InChIKey of 1-[4-(thiolan-3-ylamino)phenyl]imidazolidin-2-one?
The InChIKey is VSEKQJORVDZXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c17-13-14-6-7-16(13)12-3-1-10(2-4-12)15-11-5-8-18-9-11/h1-4,11,15H,5-9H2,(H,14,17).
What are the key properties of 1-[4-(thiolan-3-ylamino)phenyl]imidazolidin-2-one?
1-[4-(thiolan-3-ylamino)phenyl]imidazolidin-2-one has a molecular weight of 263.37 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(thiolan-3-ylamino)phenyl]imidazolidin-2-one is sourced from PubChem (CID 43724834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).