2-methyl-4-(2-morpholin-4-ylethylsulfanyl)aniline

C13H20N2OS — CID 79148751

IUPAC2-methyl-4-(2-morpholin-4-ylethylsulfanyl)aniline
SMILESCc1cc(SCCN2CCOCC2)ccc1N
InChIInChI=1S/C13H20N2OS/c1-11-10-12(2-3-13(11)14)17-9-6-15-4-7-16-8-5-15/h2-3,10H,4-9,14H2,1H3
InChIKeyZVOCSNKRDKTLMU-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.00
Rot. Bonds4

About 2-methyl-4-(2-morpholin-4-ylethylsulfanyl)aniline

2-methyl-4-(2-morpholin-4-ylethylsulfanyl)aniline (PubChem CID 79148751) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-methyl-4-(2-morpholin-4-ylethylsulfanyl)aniline.

Molecular Properties

Compound Name2-methyl-4-(2-morpholin-4-ylethylsulfanyl)aniline
PubChem CID79148751
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name2-methyl-4-(2-morpholin-4-ylethylsulfanyl)aniline
SMILESCc1cc(SCCN2CCOCC2)ccc1N
InChIInChI=1S/C13H20N2OS/c1-11-10-12(2-3-13(11)14)17-9-6-15-4-7-16-8-5-15/h2-3,10H,4-9,14H2,1H3
InChIKeyZVOCSNKRDKTLMU-UHFFFAOYSA-N
XLogP2.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-(2-piperidin-1-ylethylsulfanyl)aniline
CID 79148741
4-[2-(4-methylphenyl)sulfanylethyl]morpholine
CID 21317501
1-[2-(4-amino-3-methylphenyl)sulfanylethyl]pyrrolidine-2,5-dione
CID 79149005
2-[4-[2-(3,4-dimethylphenyl)sulfanylethyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 55922157
3-(2-morpholin-4-ylethylsulfanyl)phenol
CID 104590753
[3-(2-morpholin-4-ylethylsulfanyl)phenyl]methanamine
CID 66355170
4-[2-[2-chloro-5-(2-morpholin-4-ylethylsulfanyl)phenyl]sulfanylethyl]morpholine;methanesulfonic acid
CID 21163755
4-[2-(4-butan-2-ylphenyl)sulfanylethyl]morpholine;ethane
CID 143457208
2-methyl-4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylaniline
CID 58962640
2-methyl-4-[2-(methylamino)ethylsulfanyl]aniline
CID 79148202
2-(2-morpholin-4-ylethylsulfanyl)pyrimidine-4,6-diamine
CID 864592
4-[4-(4-methylphenyl)sulfanylbutyl]morpholine chloride
CID 53351645

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-morpholin-4-ylethylsulfanyl)aniline?
The IUPAC name of 2-methyl-4-(2-morpholin-4-ylethylsulfanyl)aniline (CID 79148751) is 2-methyl-4-(2-morpholin-4-ylethylsulfanyl)aniline.
What is the SMILES notation for 2-methyl-4-(2-morpholin-4-ylethylsulfanyl)aniline?
The canonical SMILES for 2-methyl-4-(2-morpholin-4-ylethylsulfanyl)aniline is Cc1cc(SCCN2CCOCC2)ccc1N.
What is the InChIKey of 2-methyl-4-(2-morpholin-4-ylethylsulfanyl)aniline?
The InChIKey is ZVOCSNKRDKTLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-11-10-12(2-3-13(11)14)17-9-6-15-4-7-16-8-5-15/h2-3,10H,4-9,14H2,1H3.
What are the key properties of 2-methyl-4-(2-morpholin-4-ylethylsulfanyl)aniline?
2-methyl-4-(2-morpholin-4-ylethylsulfanyl)aniline has a molecular weight of 252.38 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-morpholin-4-ylethylsulfanyl)aniline is sourced from PubChem (CID 79148751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).