4-(2-chloroethyl)-3-ethylsulfonylthiomorpholine

C8H16ClNO2S2 — CID 66378487

IUPAC4-(2-chloroethyl)-3-ethylsulfonylthiomorpholine
SMILESCCS(=O)(=O)C1CSCCN1CCCl
InChIInChI=1S/C8H16ClNO2S2/c1-2-14(11,12)8-7-13-6-5-10(8)4-3-9/h8H,2-7H2,1H3
InChIKeyHKVJMDLJLOZMPK-UHFFFAOYSA-N
MW257.81 g/mol
LogP1.03
Rot. Bonds4

About 4-(2-chloroethyl)-3-ethylsulfonylthiomorpholine

4-(2-chloroethyl)-3-ethylsulfonylthiomorpholine (PubChem CID 66378487) has the molecular formula C8H16ClNO2S2 and a molecular weight of 257.81 g/mol. Its IUPAC name is 4-(2-chloroethyl)-3-ethylsulfonylthiomorpholine.

Molecular Properties

Compound Name4-(2-chloroethyl)-3-ethylsulfonylthiomorpholine
PubChem CID66378487
Molecular FormulaC8H16ClNO2S2
Molecular Weight257.81 g/mol
Exact Mass257.03
IUPAC Name4-(2-chloroethyl)-3-ethylsulfonylthiomorpholine
SMILESCCS(=O)(=O)C1CSCCN1CCCl
InChIInChI=1S/C8H16ClNO2S2/c1-2-14(11,12)8-7-13-6-5-10(8)4-3-9/h8H,2-7H2,1H3
InChIKeyHKVJMDLJLOZMPK-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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethyl)-3-ethylsulfonylthiomorpholine?
The IUPAC name of 4-(2-chloroethyl)-3-ethylsulfonylthiomorpholine (CID 66378487) is 4-(2-chloroethyl)-3-ethylsulfonylthiomorpholine.
What is the SMILES notation for 4-(2-chloroethyl)-3-ethylsulfonylthiomorpholine?
The canonical SMILES for 4-(2-chloroethyl)-3-ethylsulfonylthiomorpholine is CCS(=O)(=O)C1CSCCN1CCCl.
What is the InChIKey of 4-(2-chloroethyl)-3-ethylsulfonylthiomorpholine?
The InChIKey is HKVJMDLJLOZMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO2S2/c1-2-14(11,12)8-7-13-6-5-10(8)4-3-9/h8H,2-7H2,1H3.
What are the key properties of 4-(2-chloroethyl)-3-ethylsulfonylthiomorpholine?
4-(2-chloroethyl)-3-ethylsulfonylthiomorpholine 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-(2-chloroethyl)-3-ethylsulfonylthiomorpholine is sourced from PubChem (CID 66378487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).