2-[4-(2,4-dimethylphenyl)sulfonylmorpholin-3-yl]cyclopentan-1-ol

C17H25NO4S — CID 128975339

IUPAC2-[4-(2,4-dimethylphenyl)sulfonylmorpholin-3-yl]cyclopentan-1-ol
SMILESCc1ccc(S(=O)(=O)N2CCOCC2C2CCCC2O)c(C)c1
InChIInChI=1S/C17H25NO4S/c1-12-6-7-17(13(2)10-12)23(20,21)18-8-9-22-11-15(18)14-4-3-5-16(14)19/h6-7,10,14-16,19H,3-5,8-9,11H2,1-2H3
InChIKeyZTTXZKKQUWWPGG-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.85
Rot. Bonds3

About 2-[4-(2,4-dimethylphenyl)sulfonylmorpholin-3-yl]cyclopentan-1-ol

2-[4-(2,4-dimethylphenyl)sulfonylmorpholin-3-yl]cyclopentan-1-ol (PubChem CID 128975339) has the molecular formula C17H25NO4S and a molecular weight of 339.46 g/mol. Its IUPAC name is 2-[4-(2,4-dimethylphenyl)sulfonylmorpholin-3-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[4-(2,4-dimethylphenyl)sulfonylmorpholin-3-yl]cyclopentan-1-ol
PubChem CID128975339
Molecular FormulaC17H25NO4S
Molecular Weight339.46 g/mol
Exact Mass339.15
IUPAC Name2-[4-(2,4-dimethylphenyl)sulfonylmorpholin-3-yl]cyclopentan-1-ol
SMILESCc1ccc(S(=O)(=O)N2CCOCC2C2CCCC2O)c(C)c1
InChIInChI=1S/C17H25NO4S/c1-12-6-7-17(13(2)10-12)23(20,21)18-8-9-22-11-15(18)14-4-3-5-16(14)19/h6-7,10,14-16,19H,3-5,8-9,11H2,1-2H3
InChIKeyZTTXZKKQUWWPGG-UHFFFAOYSA-N
XLogP1.85
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dimethylphenyl)sulfonylmorpholin-3-yl]cyclopentan-1-ol?
The IUPAC name of 2-[4-(2,4-dimethylphenyl)sulfonylmorpholin-3-yl]cyclopentan-1-ol (CID 128975339) is 2-[4-(2,4-dimethylphenyl)sulfonylmorpholin-3-yl]cyclopentan-1-ol.
What is the SMILES notation for 2-[4-(2,4-dimethylphenyl)sulfonylmorpholin-3-yl]cyclopentan-1-ol?
The canonical SMILES for 2-[4-(2,4-dimethylphenyl)sulfonylmorpholin-3-yl]cyclopentan-1-ol is Cc1ccc(S(=O)(=O)N2CCOCC2C2CCCC2O)c(C)c1.
What is the InChIKey of 2-[4-(2,4-dimethylphenyl)sulfonylmorpholin-3-yl]cyclopentan-1-ol?
The InChIKey is ZTTXZKKQUWWPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4S/c1-12-6-7-17(13(2)10-12)23(20,21)18-8-9-22-11-15(18)14-4-3-5-16(14)19/h6-7,10,14-16,19H,3-5,8-9,11H2,1-2H3.
What are the key properties of 2-[4-(2,4-dimethylphenyl)sulfonylmorpholin-3-yl]cyclopentan-1-ol?
2-[4-(2,4-dimethylphenyl)sulfonylmorpholin-3-yl]cyclopentan-1-ol has a molecular weight of 339.46 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-dimethylphenyl)sulfonylmorpholin-3-yl]cyclopentan-1-ol is sourced from PubChem (CID 128975339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).