[3-(2-morpholin-4-ylethylsulfanyl)phenyl]methanamine

C13H20N2OS — CID 66355170

IUPAC[3-(2-morpholin-4-ylethylsulfanyl)phenyl]methanamine
SMILESNCc1cccc(SCCN2CCOCC2)c1
InChIInChI=1S/C13H20N2OS/c14-11-12-2-1-3-13(10-12)17-9-6-15-4-7-16-8-5-15/h1-3,10H,4-9,11,14H2
InChIKeyNUDZIHZXPNKXOH-UHFFFAOYSA-N
MW252.38 g/mol
LogP1.57
Rot. Bonds5

About [3-(2-morpholin-4-ylethylsulfanyl)phenyl]methanamine

[3-(2-morpholin-4-ylethylsulfanyl)phenyl]methanamine (PubChem CID 66355170) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is [3-(2-morpholin-4-ylethylsulfanyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(2-morpholin-4-ylethylsulfanyl)phenyl]methanamine
PubChem CID66355170
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name[3-(2-morpholin-4-ylethylsulfanyl)phenyl]methanamine
SMILESNCc1cccc(SCCN2CCOCC2)c1
InChIInChI=1S/C13H20N2OS/c14-11-12-2-1-3-13(10-12)17-9-6-15-4-7-16-8-5-15/h1-3,10H,4-9,11,14H2
InChIKeyNUDZIHZXPNKXOH-UHFFFAOYSA-N
XLogP1.57
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(2-morpholin-4-ylethylsulfanyl)phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-morpholin-4-ylethylsulfanyl)phenol
CID 104590753
2-methyl-4-(2-morpholin-4-ylethylsulfanyl)aniline
CID 79148751
1-[2-[3-(aminomethyl)phenyl]sulfanylethyl]pyridin-2-one
CID 82906977
(3-propylsulfanylphenyl)methanamine
CID 66356001
4-[2-(4-methylphenyl)sulfanylethyl]morpholine
CID 21317501
4-(4-phenylsulfanylbutyl)morpholine
CID 2993740
[3-[4-(morpholin-4-ylmethyl)phenyl]phenyl]methanamine
CID 10891323
2-[3-(aminomethyl)phenyl]sulfanyl-1-morpholin-4-ylpropan-1-one
CID 66354946
N-[[3-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]phenyl]methyl]propan-2-amine
CID 82888283
2-(2-morpholin-4-ylethylsulfanyl)pyrimidine-4,6-diamine
CID 864592
[4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]methanamine
CID 39226421
[3-(2-morpholin-4-ylethyl)phenyl]-phenylmethanamine;dihydrochloride
CID 12805085

Frequently Asked Questions

What is the IUPAC name of [3-(2-morpholin-4-ylethylsulfanyl)phenyl]methanamine?
The IUPAC name of [3-(2-morpholin-4-ylethylsulfanyl)phenyl]methanamine (CID 66355170) is [3-(2-morpholin-4-ylethylsulfanyl)phenyl]methanamine.
What is the SMILES notation for [3-(2-morpholin-4-ylethylsulfanyl)phenyl]methanamine?
The canonical SMILES for [3-(2-morpholin-4-ylethylsulfanyl)phenyl]methanamine is NCc1cccc(SCCN2CCOCC2)c1.
What is the InChIKey of [3-(2-morpholin-4-ylethylsulfanyl)phenyl]methanamine?
The InChIKey is NUDZIHZXPNKXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c14-11-12-2-1-3-13(10-12)17-9-6-15-4-7-16-8-5-15/h1-3,10H,4-9,11,14H2.
What are the key properties of [3-(2-morpholin-4-ylethylsulfanyl)phenyl]methanamine?
[3-(2-morpholin-4-ylethylsulfanyl)phenyl]methanamine has a molecular weight of 252.38 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-morpholin-4-ylethylsulfanyl)phenyl]methanamine is sourced from PubChem (CID 66355170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).