3-amino-4-(thiolan-2-ylmethyl)phenol

C11H15NOS — CID 105463437

IUPAC3-amino-4-(thiolan-2-ylmethyl)phenol
SMILESNc1cc(O)ccc1CC1CCCS1
InChIInChI=1S/C11H15NOS/c12-11-7-9(13)4-3-8(11)6-10-2-1-5-14-10/h3-4,7,10,13H,1-2,5-6,12H2
InChIKeyDUCLFTNXLKLOCI-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.41
Rot. Bonds2

About 3-amino-4-(thiolan-2-ylmethyl)phenol

3-amino-4-(thiolan-2-ylmethyl)phenol (PubChem CID 105463437) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 3-amino-4-(thiolan-2-ylmethyl)phenol.

Molecular Properties

Compound Name3-amino-4-(thiolan-2-ylmethyl)phenol
PubChem CID105463437
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name3-amino-4-(thiolan-2-ylmethyl)phenol
SMILESNc1cc(O)ccc1CC1CCCS1
InChIInChI=1S/C11H15NOS/c12-11-7-9(13)4-3-8(11)6-10-2-1-5-14-10/h3-4,7,10,13H,1-2,5-6,12H2
InChIKeyDUCLFTNXLKLOCI-UHFFFAOYSA-N
XLogP2.41
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(thiolan-2-ylmethyl)phenol?
The IUPAC name of 3-amino-4-(thiolan-2-ylmethyl)phenol (CID 105463437) is 3-amino-4-(thiolan-2-ylmethyl)phenol.
What is the SMILES notation for 3-amino-4-(thiolan-2-ylmethyl)phenol?
The canonical SMILES for 3-amino-4-(thiolan-2-ylmethyl)phenol is Nc1cc(O)ccc1CC1CCCS1.
What is the InChIKey of 3-amino-4-(thiolan-2-ylmethyl)phenol?
The InChIKey is DUCLFTNXLKLOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c12-11-7-9(13)4-3-8(11)6-10-2-1-5-14-10/h3-4,7,10,13H,1-2,5-6,12H2.
What are the key properties of 3-amino-4-(thiolan-2-ylmethyl)phenol?
3-amino-4-(thiolan-2-ylmethyl)phenol has a molecular weight of 209.31 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(thiolan-2-ylmethyl)phenol is sourced from PubChem (CID 105463437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).