2-methyl-2-thiomorpholin-4-yloctan-1-amine

C13H28N2S — CID 43130152

IUPAC2-methyl-2-thiomorpholin-4-yloctan-1-amine
SMILESCCCCCCC(C)(CN)N1CCSCC1
InChIInChI=1S/C13H28N2S/c1-3-4-5-6-7-13(2,12-14)15-8-10-16-11-9-15/h3-12,14H2,1-2H3
InChIKeyLTEGLPHAFZDCRV-UHFFFAOYSA-N
MW244.45 g/mol
LogP2.72
Rot. Bonds7

About 2-methyl-2-thiomorpholin-4-yloctan-1-amine

2-methyl-2-thiomorpholin-4-yloctan-1-amine (PubChem CID 43130152) has the molecular formula C13H28N2S and a molecular weight of 244.45 g/mol. Its IUPAC name is 2-methyl-2-thiomorpholin-4-yloctan-1-amine.

Molecular Properties

Compound Name2-methyl-2-thiomorpholin-4-yloctan-1-amine
PubChem CID43130152
Molecular FormulaC13H28N2S
Molecular Weight244.45 g/mol
Exact Mass244.20
IUPAC Name2-methyl-2-thiomorpholin-4-yloctan-1-amine
SMILESCCCCCCC(C)(CN)N1CCSCC1
InChIInChI=1S/C13H28N2S/c1-3-4-5-6-7-13(2,12-14)15-8-10-16-11-9-15/h3-12,14H2,1-2H3
InChIKeyLTEGLPHAFZDCRV-UHFFFAOYSA-N
XLogP2.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-thiomorpholin-4-yloctan-1-amine?
The IUPAC name of 2-methyl-2-thiomorpholin-4-yloctan-1-amine (CID 43130152) is 2-methyl-2-thiomorpholin-4-yloctan-1-amine.
What is the SMILES notation for 2-methyl-2-thiomorpholin-4-yloctan-1-amine?
The canonical SMILES for 2-methyl-2-thiomorpholin-4-yloctan-1-amine is CCCCCCC(C)(CN)N1CCSCC1.
What is the InChIKey of 2-methyl-2-thiomorpholin-4-yloctan-1-amine?
The InChIKey is LTEGLPHAFZDCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2S/c1-3-4-5-6-7-13(2,12-14)15-8-10-16-11-9-15/h3-12,14H2,1-2H3.
What are the key properties of 2-methyl-2-thiomorpholin-4-yloctan-1-amine?
2-methyl-2-thiomorpholin-4-yloctan-1-amine has a molecular weight of 244.45 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-thiomorpholin-4-yloctan-1-amine is sourced from PubChem (CID 43130152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).