4-(3-chloro-4-cyclopentylsulfonylphenyl)morpholine

C15H20ClNO3S — CID 90106436

IUPAC4-(3-chloro-4-cyclopentylsulfonylphenyl)morpholine
SMILESO=S(=O)(c1ccc(N2CCOCC2)cc1Cl)C1CCCC1
InChIInChI=1S/C15H20ClNO3S/c16-14-11-12(17-7-9-20-10-8-17)5-6-15(14)21(18,19)13-3-1-2-4-13/h5-6,11,13H,1-4,7-10H2
InChIKeyLVXAUTONBZMITE-UHFFFAOYSA-N
MW329.85 g/mol
LogP2.89
Rot. Bonds3

About 4-(3-chloro-4-cyclopentylsulfonylphenyl)morpholine

4-(3-chloro-4-cyclopentylsulfonylphenyl)morpholine (PubChem CID 90106436) has the molecular formula C15H20ClNO3S and a molecular weight of 329.85 g/mol. Its IUPAC name is 4-(3-chloro-4-cyclopentylsulfonylphenyl)morpholine.

Molecular Properties

Compound Name4-(3-chloro-4-cyclopentylsulfonylphenyl)morpholine
PubChem CID90106436
Molecular FormulaC15H20ClNO3S
Molecular Weight329.85 g/mol
Exact Mass329.09
IUPAC Name4-(3-chloro-4-cyclopentylsulfonylphenyl)morpholine
SMILESO=S(=O)(c1ccc(N2CCOCC2)cc1Cl)C1CCCC1
InChIInChI=1S/C15H20ClNO3S/c16-14-11-12(17-7-9-20-10-8-17)5-6-15(14)21(18,19)13-3-1-2-4-13/h5-6,11,13H,1-4,7-10H2
InChIKeyLVXAUTONBZMITE-UHFFFAOYSA-N
XLogP2.89
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.85
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-cyclopentylsulfonylphenyl)morpholine?
The IUPAC name of 4-(3-chloro-4-cyclopentylsulfonylphenyl)morpholine (CID 90106436) is 4-(3-chloro-4-cyclopentylsulfonylphenyl)morpholine.
What is the SMILES notation for 4-(3-chloro-4-cyclopentylsulfonylphenyl)morpholine?
The canonical SMILES for 4-(3-chloro-4-cyclopentylsulfonylphenyl)morpholine is O=S(=O)(c1ccc(N2CCOCC2)cc1Cl)C1CCCC1.
What is the InChIKey of 4-(3-chloro-4-cyclopentylsulfonylphenyl)morpholine?
The InChIKey is LVXAUTONBZMITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3S/c16-14-11-12(17-7-9-20-10-8-17)5-6-15(14)21(18,19)13-3-1-2-4-13/h5-6,11,13H,1-4,7-10H2.
What are the key properties of 4-(3-chloro-4-cyclopentylsulfonylphenyl)morpholine?
4-(3-chloro-4-cyclopentylsulfonylphenyl)morpholine has a molecular weight of 329.85 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-cyclopentylsulfonylphenyl)morpholine is sourced from PubChem (CID 90106436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).