4-[2-(4-chlorophenyl)sulfonylethyl]thiomorpholine

C12H16ClNO2S2 — CID 2818795

IUPAC4-[2-(4-chlorophenyl)sulfonylethyl]thiomorpholine
SMILESO=S(=O)(CCN1CCSCC1)c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO2S2/c13-11-1-3-12(4-2-11)18(15,16)10-7-14-5-8-17-9-6-14/h1-4H,5-10H2
InChIKeyJPDWLVQRSIORNM-UHFFFAOYSA-N
MW305.85 g/mol
LogP2.16
Rot. Bonds4

About 4-[2-(4-chlorophenyl)sulfonylethyl]thiomorpholine

4-[2-(4-chlorophenyl)sulfonylethyl]thiomorpholine (PubChem CID 2818795) has the molecular formula C12H16ClNO2S2 and a molecular weight of 305.85 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)sulfonylethyl]thiomorpholine.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)sulfonylethyl]thiomorpholine
PubChem CID2818795
Molecular FormulaC12H16ClNO2S2
Molecular Weight305.85 g/mol
Exact Mass305.03
IUPAC Name4-[2-(4-chlorophenyl)sulfonylethyl]thiomorpholine
SMILESO=S(=O)(CCN1CCSCC1)c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO2S2/c13-11-1-3-12(4-2-11)18(15,16)10-7-14-5-8-17-9-6-14/h1-4H,5-10H2
InChIKeyJPDWLVQRSIORNM-UHFFFAOYSA-N
XLogP2.16
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)sulfonylethyl]thiomorpholine?
The IUPAC name of 4-[2-(4-chlorophenyl)sulfonylethyl]thiomorpholine (CID 2818795) is 4-[2-(4-chlorophenyl)sulfonylethyl]thiomorpholine.
What is the SMILES notation for 4-[2-(4-chlorophenyl)sulfonylethyl]thiomorpholine?
The canonical SMILES for 4-[2-(4-chlorophenyl)sulfonylethyl]thiomorpholine is O=S(=O)(CCN1CCSCC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-[2-(4-chlorophenyl)sulfonylethyl]thiomorpholine?
The InChIKey is JPDWLVQRSIORNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2S2/c13-11-1-3-12(4-2-11)18(15,16)10-7-14-5-8-17-9-6-14/h1-4H,5-10H2.
What are the key properties of 4-[2-(4-chlorophenyl)sulfonylethyl]thiomorpholine?
4-[2-(4-chlorophenyl)sulfonylethyl]thiomorpholine has a molecular weight of 305.85 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)sulfonylethyl]thiomorpholine is sourced from PubChem (CID 2818795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).