(2,6-dimethylmorpholin-4-yl)-phenylmethanethione

C13H17NOS — CID 2906413

IUPAC(2,6-dimethylmorpholin-4-yl)-phenylmethanethione
SMILESCC1CN(C(=S)c2ccccc2)CC(C)O1
InChIInChI=1S/C13H17NOS/c1-10-8-14(9-11(2)15-10)13(16)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3
InChIKeyUNZKQJMVXLJXRG-UHFFFAOYSA-N
MW235.35 g/mol
LogP2.47
Rot. Bonds1

About (2,6-dimethylmorpholin-4-yl)-phenylmethanethione

(2,6-dimethylmorpholin-4-yl)-phenylmethanethione (PubChem CID 2906413) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-phenylmethanethione.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-phenylmethanethione
PubChem CID2906413
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC Name(2,6-dimethylmorpholin-4-yl)-phenylmethanethione
SMILESCC1CN(C(=S)c2ccccc2)CC(C)O1
InChIInChI=1S/C13H17NOS/c1-10-8-14(9-11(2)15-10)13(16)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3
InChIKeyUNZKQJMVXLJXRG-UHFFFAOYSA-N
XLogP2.47
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 52.47
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 (2,6-dimethylmorpholin-4-yl)-phenylmethanethione?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-phenylmethanethione (CID 2906413) is (2,6-dimethylmorpholin-4-yl)-phenylmethanethione.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-phenylmethanethione?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-phenylmethanethione is CC1CN(C(=S)c2ccccc2)CC(C)O1.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-phenylmethanethione?
The InChIKey is UNZKQJMVXLJXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c1-10-8-14(9-11(2)15-10)13(16)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3.
What are the key properties of (2,6-dimethylmorpholin-4-yl)-phenylmethanethione?
(2,6-dimethylmorpholin-4-yl)-phenylmethanethione has a molecular weight of 235.35 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylmorpholin-4-yl)-phenylmethanethione is sourced from PubChem (CID 2906413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).