4-(4-cyclopentyloxyphenyl)sulfonyl-3-methylmorpholine

C16H23NO4S — CID 110292279

IUPAC4-(4-cyclopentyloxyphenyl)sulfonyl-3-methylmorpholine
SMILESCC1COCCN1S(=O)(=O)c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C16H23NO4S/c1-13-12-20-11-10-17(13)22(18,19)16-8-6-15(7-9-16)21-14-4-2-3-5-14/h6-9,13-14H,2-5,10-12H2,1H3
InChIKeyFZSAUZGVKYWAIX-UHFFFAOYSA-N
MW325.43 g/mol
LogP2.42
Rot. Bonds4

About 4-(4-cyclopentyloxyphenyl)sulfonyl-3-methylmorpholine

4-(4-cyclopentyloxyphenyl)sulfonyl-3-methylmorpholine (PubChem CID 110292279) has the molecular formula C16H23NO4S and a molecular weight of 325.43 g/mol. Its IUPAC name is 4-(4-cyclopentyloxyphenyl)sulfonyl-3-methylmorpholine.

Molecular Properties

Compound Name4-(4-cyclopentyloxyphenyl)sulfonyl-3-methylmorpholine
PubChem CID110292279
Molecular FormulaC16H23NO4S
Molecular Weight325.43 g/mol
Exact Mass325.13
IUPAC Name4-(4-cyclopentyloxyphenyl)sulfonyl-3-methylmorpholine
SMILESCC1COCCN1S(=O)(=O)c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C16H23NO4S/c1-13-12-20-11-10-17(13)22(18,19)16-8-6-15(7-9-16)21-14-4-2-3-5-14/h6-9,13-14H,2-5,10-12H2,1H3
InChIKeyFZSAUZGVKYWAIX-UHFFFAOYSA-N
XLogP2.42
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-cyclopentyloxyphenyl)sulfonyl-2,5-dimethylmorpholine
CID 110727700
3-(4-cyclopentyloxyphenyl)sulfonyl-2-methyl-1,3-oxazinane
CID 110739906
(3R)-3-methyl-4-[4-(trifluoromethoxy)phenyl]sulfonylmorpholine
CID 51939603
4-(4-chlorophenyl)sulfonyl-3-methylmorpholine
CID 47171390
3-(4-cyclopentyloxyphenyl)sulfonyl-1,3-oxazolidine
CID 110740083
N-cyclopentyl-4-(3-methylmorpholin-4-yl)sulfonylbenzamide
CID 110343683
N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]cyclohexanecarboxamide
CID 110352360
3-(4-cyclopentyloxyphenyl)sulfonyl-1,3-oxazinane
CID 110739721
4-(3-methylmorpholin-4-yl)sulfonylbenzenecarbothioamide
CID 43542367
2-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]acetic acid
CID 43542002
(3R)-3-methyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine
CID 106833798
(E)-3-[4-[(3R)-3-methylmorpholin-4-yl]sulfonylphenyl]prop-2-enoic acid
CID 106773963

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopentyloxyphenyl)sulfonyl-3-methylmorpholine?
The IUPAC name of 4-(4-cyclopentyloxyphenyl)sulfonyl-3-methylmorpholine (CID 110292279) is 4-(4-cyclopentyloxyphenyl)sulfonyl-3-methylmorpholine.
What is the SMILES notation for 4-(4-cyclopentyloxyphenyl)sulfonyl-3-methylmorpholine?
The canonical SMILES for 4-(4-cyclopentyloxyphenyl)sulfonyl-3-methylmorpholine is CC1COCCN1S(=O)(=O)c1ccc(OC2CCCC2)cc1.
What is the InChIKey of 4-(4-cyclopentyloxyphenyl)sulfonyl-3-methylmorpholine?
The InChIKey is FZSAUZGVKYWAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4S/c1-13-12-20-11-10-17(13)22(18,19)16-8-6-15(7-9-16)21-14-4-2-3-5-14/h6-9,13-14H,2-5,10-12H2,1H3.
What are the key properties of 4-(4-cyclopentyloxyphenyl)sulfonyl-3-methylmorpholine?
4-(4-cyclopentyloxyphenyl)sulfonyl-3-methylmorpholine has a molecular weight of 325.43 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopentyloxyphenyl)sulfonyl-3-methylmorpholine is sourced from PubChem (CID 110292279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).