2-methyl-N-(4-morpholin-4-ylphenyl)thiolan-3-amine

C15H22N2OS — CID 102671016

IUPAC2-methyl-N-(4-morpholin-4-ylphenyl)thiolan-3-amine
SMILESCC1SCCC1Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C15H22N2OS/c1-12-15(6-11-19-12)16-13-2-4-14(5-3-13)17-7-9-18-10-8-17/h2-5,12,15-16H,6-11H2,1H3
InChIKeyIRGASRKQEYOIBK-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.83
Rot. Bonds3

About 2-methyl-N-(4-morpholin-4-ylphenyl)thiolan-3-amine

2-methyl-N-(4-morpholin-4-ylphenyl)thiolan-3-amine (PubChem CID 102671016) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-methyl-N-(4-morpholin-4-ylphenyl)thiolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-(4-morpholin-4-ylphenyl)thiolan-3-amine
PubChem CID102671016
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name2-methyl-N-(4-morpholin-4-ylphenyl)thiolan-3-amine
SMILESCC1SCCC1Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C15H22N2OS/c1-12-15(6-11-19-12)16-13-2-4-14(5-3-13)17-7-9-18-10-8-17/h2-5,12,15-16H,6-11H2,1H3
InChIKeyIRGASRKQEYOIBK-UHFFFAOYSA-N
XLogP2.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-morpholin-4-ylphenyl)thiolan-3-amine?
The IUPAC name of 2-methyl-N-(4-morpholin-4-ylphenyl)thiolan-3-amine (CID 102671016) is 2-methyl-N-(4-morpholin-4-ylphenyl)thiolan-3-amine.
What is the SMILES notation for 2-methyl-N-(4-morpholin-4-ylphenyl)thiolan-3-amine?
The canonical SMILES for 2-methyl-N-(4-morpholin-4-ylphenyl)thiolan-3-amine is CC1SCCC1Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-methyl-N-(4-morpholin-4-ylphenyl)thiolan-3-amine?
The InChIKey is IRGASRKQEYOIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-12-15(6-11-19-12)16-13-2-4-14(5-3-13)17-7-9-18-10-8-17/h2-5,12,15-16H,6-11H2,1H3.
What are the key properties of 2-methyl-N-(4-morpholin-4-ylphenyl)thiolan-3-amine?
2-methyl-N-(4-morpholin-4-ylphenyl)thiolan-3-amine has a molecular weight of 278.42 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-morpholin-4-ylphenyl)thiolan-3-amine is sourced from PubChem (CID 102671016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).