4-(5,5-dimethylhexyl)thiomorpholine

C12H25NS — CID 58974868

IUPAC4-(5,5-dimethylhexyl)thiomorpholine
SMILESCC(C)(C)CCCCN1CCSCC1
InChIInChI=1S/C12H25NS/c1-12(2,3)6-4-5-7-13-8-10-14-11-9-13/h4-11H2,1-3H3
InChIKeyKYUSTXVEBYARJU-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.25
Rot. Bonds4

About 4-(5,5-dimethylhexyl)thiomorpholine

4-(5,5-dimethylhexyl)thiomorpholine (PubChem CID 58974868) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is 4-(5,5-dimethylhexyl)thiomorpholine.

Molecular Properties

Compound Name4-(5,5-dimethylhexyl)thiomorpholine
PubChem CID58974868
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC Name4-(5,5-dimethylhexyl)thiomorpholine
SMILESCC(C)(C)CCCCN1CCSCC1
InChIInChI=1S/C12H25NS/c1-12(2,3)6-4-5-7-13-8-10-14-11-9-13/h4-11H2,1-3H3
InChIKeyKYUSTXVEBYARJU-UHFFFAOYSA-N
XLogP3.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4-(5,5-dimethylhexyl)thiomorpholine?
The IUPAC name of 4-(5,5-dimethylhexyl)thiomorpholine (CID 58974868) is 4-(5,5-dimethylhexyl)thiomorpholine.
What is the SMILES notation for 4-(5,5-dimethylhexyl)thiomorpholine?
The canonical SMILES for 4-(5,5-dimethylhexyl)thiomorpholine is CC(C)(C)CCCCN1CCSCC1.
What is the InChIKey of 4-(5,5-dimethylhexyl)thiomorpholine?
The InChIKey is KYUSTXVEBYARJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-12(2,3)6-4-5-7-13-8-10-14-11-9-13/h4-11H2,1-3H3.
What are the key properties of 4-(5,5-dimethylhexyl)thiomorpholine?
4-(5,5-dimethylhexyl)thiomorpholine has a molecular weight of 215.41 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,5-dimethylhexyl)thiomorpholine is sourced from PubChem (CID 58974868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).