4-(6-methylheptyl)thiomorpholine

C12H25NS — CID 59001011

IUPAC4-(6-methylheptyl)thiomorpholine
SMILESCC(C)CCCCCN1CCSCC1
InChIInChI=1S/C12H25NS/c1-12(2)6-4-3-5-7-13-8-10-14-11-9-13/h12H,3-11H2,1-2H3
InChIKeyKOMAUZQSRMEGIO-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.25
Rot. Bonds6

About 4-(6-methylheptyl)thiomorpholine

4-(6-methylheptyl)thiomorpholine (PubChem CID 59001011) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is 4-(6-methylheptyl)thiomorpholine.

Molecular Properties

Compound Name4-(6-methylheptyl)thiomorpholine
PubChem CID59001011
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC Name4-(6-methylheptyl)thiomorpholine
SMILESCC(C)CCCCCN1CCSCC1
InChIInChI=1S/C12H25NS/c1-12(2)6-4-3-5-7-13-8-10-14-11-9-13/h12H,3-11H2,1-2H3
InChIKeyKOMAUZQSRMEGIO-UHFFFAOYSA-N
XLogP3.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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-(6-methylheptyl)thiomorpholine?
The IUPAC name of 4-(6-methylheptyl)thiomorpholine (CID 59001011) is 4-(6-methylheptyl)thiomorpholine.
What is the SMILES notation for 4-(6-methylheptyl)thiomorpholine?
The canonical SMILES for 4-(6-methylheptyl)thiomorpholine is CC(C)CCCCCN1CCSCC1.
What is the InChIKey of 4-(6-methylheptyl)thiomorpholine?
The InChIKey is KOMAUZQSRMEGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-12(2)6-4-3-5-7-13-8-10-14-11-9-13/h12H,3-11H2,1-2H3.
What are the key properties of 4-(6-methylheptyl)thiomorpholine?
4-(6-methylheptyl)thiomorpholine has a molecular weight of 215.41 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methylheptyl)thiomorpholine is sourced from PubChem (CID 59001011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).