4-[2-(bromomethyl)pentyl]-3-methylthiomorpholine

C11H22BrNS — CID 65012852

IUPAC4-[2-(bromomethyl)pentyl]-3-methylthiomorpholine
SMILESCCCC(CBr)CN1CCSCC1C
InChIInChI=1S/C11H22BrNS/c1-3-4-11(7-12)8-13-5-6-14-9-10(13)2/h10-11H,3-9H2,1-2H3
InChIKeyGBMWLZWYJJEZEY-UHFFFAOYSA-N
MW280.27 g/mol
LogP3.23
Rot. Bonds5

About 4-[2-(bromomethyl)pentyl]-3-methylthiomorpholine

4-[2-(bromomethyl)pentyl]-3-methylthiomorpholine (PubChem CID 65012852) has the molecular formula C11H22BrNS and a molecular weight of 280.27 g/mol. Its IUPAC name is 4-[2-(bromomethyl)pentyl]-3-methylthiomorpholine.

Molecular Properties

Compound Name4-[2-(bromomethyl)pentyl]-3-methylthiomorpholine
PubChem CID65012852
Molecular FormulaC11H22BrNS
Molecular Weight280.27 g/mol
Exact Mass279.07
IUPAC Name4-[2-(bromomethyl)pentyl]-3-methylthiomorpholine
SMILESCCCC(CBr)CN1CCSCC1C
InChIInChI=1S/C11H22BrNS/c1-3-4-11(7-12)8-13-5-6-14-9-10(13)2/h10-11H,3-9H2,1-2H3
InChIKeyGBMWLZWYJJEZEY-UHFFFAOYSA-N
XLogP3.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(bromomethyl)pentyl]-3-methylthiomorpholine?
The IUPAC name of 4-[2-(bromomethyl)pentyl]-3-methylthiomorpholine (CID 65012852) is 4-[2-(bromomethyl)pentyl]-3-methylthiomorpholine.
What is the SMILES notation for 4-[2-(bromomethyl)pentyl]-3-methylthiomorpholine?
The canonical SMILES for 4-[2-(bromomethyl)pentyl]-3-methylthiomorpholine is CCCC(CBr)CN1CCSCC1C.
What is the InChIKey of 4-[2-(bromomethyl)pentyl]-3-methylthiomorpholine?
The InChIKey is GBMWLZWYJJEZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNS/c1-3-4-11(7-12)8-13-5-6-14-9-10(13)2/h10-11H,3-9H2,1-2H3.
What are the key properties of 4-[2-(bromomethyl)pentyl]-3-methylthiomorpholine?
4-[2-(bromomethyl)pentyl]-3-methylthiomorpholine has a molecular weight of 280.27 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(bromomethyl)pentyl]-3-methylthiomorpholine is sourced from PubChem (CID 65012852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).