4-(3-chloropropyl)-3-methylsulfonylthiomorpholine

C8H16ClNO2S2 — CID 66382035

IUPAC4-(3-chloropropyl)-3-methylsulfonylthiomorpholine
SMILESCS(=O)(=O)C1CSCCN1CCCCl
InChIInChI=1S/C8H16ClNO2S2/c1-14(11,12)8-7-13-6-5-10(8)4-2-3-9/h8H,2-7H2,1H3
InChIKeyNWJAXTNUHRVMFH-UHFFFAOYSA-N
MW257.81 g/mol
LogP1.03
Rot. Bonds4

About 4-(3-chloropropyl)-3-methylsulfonylthiomorpholine

4-(3-chloropropyl)-3-methylsulfonylthiomorpholine (PubChem CID 66382035) has the molecular formula C8H16ClNO2S2 and a molecular weight of 257.81 g/mol. Its IUPAC name is 4-(3-chloropropyl)-3-methylsulfonylthiomorpholine.

Molecular Properties

Compound Name4-(3-chloropropyl)-3-methylsulfonylthiomorpholine
PubChem CID66382035
Molecular FormulaC8H16ClNO2S2
Molecular Weight257.81 g/mol
Exact Mass257.03
IUPAC Name4-(3-chloropropyl)-3-methylsulfonylthiomorpholine
SMILESCS(=O)(=O)C1CSCCN1CCCCl
InChIInChI=1S/C8H16ClNO2S2/c1-14(11,12)8-7-13-6-5-10(8)4-2-3-9/h8H,2-7H2,1H3
InChIKeyNWJAXTNUHRVMFH-UHFFFAOYSA-N
XLogP1.03
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.81
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(3-chloropropyl)-3-methylsulfonylthiomorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloropropyl)-3-methylsulfonylthiomorpholine?
The IUPAC name of 4-(3-chloropropyl)-3-methylsulfonylthiomorpholine (CID 66382035) is 4-(3-chloropropyl)-3-methylsulfonylthiomorpholine.
What is the SMILES notation for 4-(3-chloropropyl)-3-methylsulfonylthiomorpholine?
The canonical SMILES for 4-(3-chloropropyl)-3-methylsulfonylthiomorpholine is CS(=O)(=O)C1CSCCN1CCCCl.
What is the InChIKey of 4-(3-chloropropyl)-3-methylsulfonylthiomorpholine?
The InChIKey is NWJAXTNUHRVMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO2S2/c1-14(11,12)8-7-13-6-5-10(8)4-2-3-9/h8H,2-7H2,1H3.
What are the key properties of 4-(3-chloropropyl)-3-methylsulfonylthiomorpholine?
4-(3-chloropropyl)-3-methylsulfonylthiomorpholine has a molecular weight of 257.81 g/mol, XLogP of 1.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloropropyl)-3-methylsulfonylthiomorpholine is sourced from PubChem (CID 66382035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).