4-[4-(2-methylpropyl)phenyl]sulfonylmorpholine

C14H21NO3S — CID 4144026

IUPAC4-[4-(2-methylpropyl)phenyl]sulfonylmorpholine
SMILESCC(C)Cc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C14H21NO3S/c1-12(2)11-13-3-5-14(6-4-13)19(16,17)15-7-9-18-10-8-15/h3-6,12H,7-11H2,1-2H3
InChIKeyZGUCNUXPNSEJQN-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.91
Rot. Bonds4

About 4-[4-(2-methylpropyl)phenyl]sulfonylmorpholine

4-[4-(2-methylpropyl)phenyl]sulfonylmorpholine (PubChem CID 4144026) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 4-[4-(2-methylpropyl)phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-(2-methylpropyl)phenyl]sulfonylmorpholine
PubChem CID4144026
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name4-[4-(2-methylpropyl)phenyl]sulfonylmorpholine
SMILESCC(C)Cc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C14H21NO3S/c1-12(2)11-13-3-5-14(6-4-13)19(16,17)15-7-9-18-10-8-15/h3-6,12H,7-11H2,1-2H3
InChIKeyZGUCNUXPNSEJQN-UHFFFAOYSA-N
XLogP1.91
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylpropyl)phenyl]sulfonylmorpholine?
The IUPAC name of 4-[4-(2-methylpropyl)phenyl]sulfonylmorpholine (CID 4144026) is 4-[4-(2-methylpropyl)phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-(2-methylpropyl)phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[4-(2-methylpropyl)phenyl]sulfonylmorpholine is CC(C)Cc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-[4-(2-methylpropyl)phenyl]sulfonylmorpholine?
The InChIKey is ZGUCNUXPNSEJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-12(2)11-13-3-5-14(6-4-13)19(16,17)15-7-9-18-10-8-15/h3-6,12H,7-11H2,1-2H3.
What are the key properties of 4-[4-(2-methylpropyl)phenyl]sulfonylmorpholine?
4-[4-(2-methylpropyl)phenyl]sulfonylmorpholine has a molecular weight of 283.39 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylpropyl)phenyl]sulfonylmorpholine is sourced from PubChem (CID 4144026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).