4-pentylthiomorpholine

C9H19NS — CID 12517934

IUPAC4-pentylthiomorpholine
SMILESCCCCCN1CCSCC1
InChIInChI=1S/C9H19NS/c1-2-3-4-5-10-6-8-11-9-7-10/h2-9H2,1H3
InChIKeyLFNZTDLVXSLRAI-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.23
Rot. Bonds4

About 4-pentylthiomorpholine

4-pentylthiomorpholine (PubChem CID 12517934) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 4-pentylthiomorpholine.

Molecular Properties

Compound Name4-pentylthiomorpholine
PubChem CID12517934
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name4-pentylthiomorpholine
SMILESCCCCCN1CCSCC1
InChIInChI=1S/C9H19NS/c1-2-3-4-5-10-6-8-11-9-7-10/h2-9H2,1H3
InChIKeyLFNZTDLVXSLRAI-UHFFFAOYSA-N
XLogP2.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.23
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-pentylthiomorpholine?
The IUPAC name of 4-pentylthiomorpholine (CID 12517934) is 4-pentylthiomorpholine.
What is the SMILES notation for 4-pentylthiomorpholine?
The canonical SMILES for 4-pentylthiomorpholine is CCCCCN1CCSCC1.
What is the InChIKey of 4-pentylthiomorpholine?
The InChIKey is LFNZTDLVXSLRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-2-3-4-5-10-6-8-11-9-7-10/h2-9H2,1H3.
What are the key properties of 4-pentylthiomorpholine?
4-pentylthiomorpholine has a molecular weight of 173.32 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentylthiomorpholine is sourced from PubChem (CID 12517934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).