2-(2,5-dimethylphenyl)-2-thiomorpholin-4-ylethanamine

C14H22N2S — CID 54977844

IUPAC2-(2,5-dimethylphenyl)-2-thiomorpholin-4-ylethanamine
SMILESCc1ccc(C)c(C(CN)N2CCSCC2)c1
InChIInChI=1S/C14H22N2S/c1-11-3-4-12(2)13(9-11)14(10-15)16-5-7-17-8-6-16/h3-4,9,14H,5-8,10,15H2,1-2H3
InChIKeyZTQZFRKGZAXDQK-UHFFFAOYSA-N
MW250.41 g/mol
LogP2.35
Rot. Bonds3

About 2-(2,5-dimethylphenyl)-2-thiomorpholin-4-ylethanamine

2-(2,5-dimethylphenyl)-2-thiomorpholin-4-ylethanamine (PubChem CID 54977844) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-2-thiomorpholin-4-ylethanamine.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-2-thiomorpholin-4-ylethanamine
PubChem CID54977844
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name2-(2,5-dimethylphenyl)-2-thiomorpholin-4-ylethanamine
SMILESCc1ccc(C)c(C(CN)N2CCSCC2)c1
InChIInChI=1S/C14H22N2S/c1-11-3-4-12(2)13(9-11)14(10-15)16-5-7-17-8-6-16/h3-4,9,14H,5-8,10,15H2,1-2H3
InChIKeyZTQZFRKGZAXDQK-UHFFFAOYSA-N
XLogP2.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-2-thiomorpholin-4-ylethanamine?
The IUPAC name of 2-(2,5-dimethylphenyl)-2-thiomorpholin-4-ylethanamine (CID 54977844) is 2-(2,5-dimethylphenyl)-2-thiomorpholin-4-ylethanamine.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-2-thiomorpholin-4-ylethanamine?
The canonical SMILES for 2-(2,5-dimethylphenyl)-2-thiomorpholin-4-ylethanamine is Cc1ccc(C)c(C(CN)N2CCSCC2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-2-thiomorpholin-4-ylethanamine?
The InChIKey is ZTQZFRKGZAXDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-11-3-4-12(2)13(9-11)14(10-15)16-5-7-17-8-6-16/h3-4,9,14H,5-8,10,15H2,1-2H3.
What are the key properties of 2-(2,5-dimethylphenyl)-2-thiomorpholin-4-ylethanamine?
2-(2,5-dimethylphenyl)-2-thiomorpholin-4-ylethanamine has a molecular weight of 250.41 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-2-thiomorpholin-4-ylethanamine is sourced from PubChem (CID 54977844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).