4-[phenyl-(thiolan-3-ylamino)methyl]phenol

C17H19NOS — CID 103603296

IUPAC4-[phenyl-(thiolan-3-ylamino)methyl]phenol
SMILESOc1ccc(C(NC2CCSC2)c2ccccc2)cc1
InChIInChI=1S/C17H19NOS/c19-16-8-6-14(7-9-16)17(13-4-2-1-3-5-13)18-15-10-11-20-12-15/h1-9,15,17-19H,10-12H2
InChIKeyUNLQDNCFFJHMGC-UHFFFAOYSA-N
MW285.41 g/mol
LogP3.58
Rot. Bonds4

About 4-[phenyl-(thiolan-3-ylamino)methyl]phenol

4-[phenyl-(thiolan-3-ylamino)methyl]phenol (PubChem CID 103603296) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is 4-[phenyl-(thiolan-3-ylamino)methyl]phenol.

Molecular Properties

Compound Name4-[phenyl-(thiolan-3-ylamino)methyl]phenol
PubChem CID103603296
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name4-[phenyl-(thiolan-3-ylamino)methyl]phenol
SMILESOc1ccc(C(NC2CCSC2)c2ccccc2)cc1
InChIInChI=1S/C17H19NOS/c19-16-8-6-14(7-9-16)17(13-4-2-1-3-5-13)18-15-10-11-20-12-15/h1-9,15,17-19H,10-12H2
InChIKeyUNLQDNCFFJHMGC-UHFFFAOYSA-N
XLogP3.58
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[phenyl-(thiolan-3-ylamino)methyl]phenol?
The IUPAC name of 4-[phenyl-(thiolan-3-ylamino)methyl]phenol (CID 103603296) is 4-[phenyl-(thiolan-3-ylamino)methyl]phenol.
What is the SMILES notation for 4-[phenyl-(thiolan-3-ylamino)methyl]phenol?
The canonical SMILES for 4-[phenyl-(thiolan-3-ylamino)methyl]phenol is Oc1ccc(C(NC2CCSC2)c2ccccc2)cc1.
What is the InChIKey of 4-[phenyl-(thiolan-3-ylamino)methyl]phenol?
The InChIKey is UNLQDNCFFJHMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c19-16-8-6-14(7-9-16)17(13-4-2-1-3-5-13)18-15-10-11-20-12-15/h1-9,15,17-19H,10-12H2.
What are the key properties of 4-[phenyl-(thiolan-3-ylamino)methyl]phenol?
4-[phenyl-(thiolan-3-ylamino)methyl]phenol has a molecular weight of 285.41 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[phenyl-(thiolan-3-ylamino)methyl]phenol is sourced from PubChem (CID 103603296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).