4-(4-cyclopentyloxyphenyl)sulfonyl-2,5-dimethylmorpholine

C17H25NO4S — CID 110727700

IUPAC4-(4-cyclopentyloxyphenyl)sulfonyl-2,5-dimethylmorpholine
SMILESCC1CN(S(=O)(=O)c2ccc(OC3CCCC3)cc2)C(C)CO1
InChIInChI=1S/C17H25NO4S/c1-13-12-21-14(2)11-18(13)23(19,20)17-9-7-16(8-10-17)22-15-5-3-4-6-15/h7-10,13-15H,3-6,11-12H2,1-2H3
InChIKeyUMTJMRYTWNODDY-UHFFFAOYSA-N
MW339.46 g/mol
LogP2.81
Rot. Bonds4

About 4-(4-cyclopentyloxyphenyl)sulfonyl-2,5-dimethylmorpholine

4-(4-cyclopentyloxyphenyl)sulfonyl-2,5-dimethylmorpholine (PubChem CID 110727700) has the molecular formula C17H25NO4S and a molecular weight of 339.46 g/mol. Its IUPAC name is 4-(4-cyclopentyloxyphenyl)sulfonyl-2,5-dimethylmorpholine.

Molecular Properties

Compound Name4-(4-cyclopentyloxyphenyl)sulfonyl-2,5-dimethylmorpholine
PubChem CID110727700
Molecular FormulaC17H25NO4S
Molecular Weight339.46 g/mol
Exact Mass339.15
IUPAC Name4-(4-cyclopentyloxyphenyl)sulfonyl-2,5-dimethylmorpholine
SMILESCC1CN(S(=O)(=O)c2ccc(OC3CCCC3)cc2)C(C)CO1
InChIInChI=1S/C17H25NO4S/c1-13-12-21-14(2)11-18(13)23(19,20)17-9-7-16(8-10-17)22-15-5-3-4-6-15/h7-10,13-15H,3-6,11-12H2,1-2H3
InChIKeyUMTJMRYTWNODDY-UHFFFAOYSA-N
XLogP2.81
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-cyclopentyloxyphenyl)sulfonyl-3-methylmorpholine
CID 110292279
3-(4-cyclopentyloxyphenyl)sulfonyl-2-methyl-1,3-oxazinane
CID 110739906
4-(2,5-dimethylmorpholin-4-yl)sulfonylbenzoic acid
CID 43421867
2-[4-(2,5-dimethylmorpholin-4-yl)sulfonylphenyl]acetic acid
CID 43544549
(2S,5R)-4-[(6-chloro-3-pyridinyl)sulfonyl]-2,5-dimethylmorpholine
CID 51682945
2,5-dimethyl-4-[4-(tetrazol-1-yl)phenyl]sulfonylmorpholine
CID 49239732
(2R,5R)-4-(3-chloro-4-methoxyphenyl)sulfonyl-2,5-dimethylmorpholine
CID 51943139
3-(2,5-dimethylmorpholin-4-yl)sulfonylbenzenesulfonyl fluoride
CID 114791367
4-(4-chloro-3-nitrophenyl)sulfonyl-2,5-dimethylmorpholine
CID 43544676
3-(4-cyclopentyloxyphenyl)sulfonyl-1,3-oxazolidine
CID 110740083
(2R,5R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2,5-dimethylpiperazine
CID 1294264
2-chloro-5-(2,5-dimethylmorpholin-4-yl)sulfonylbenzonitrile
CID 47304224

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopentyloxyphenyl)sulfonyl-2,5-dimethylmorpholine?
The IUPAC name of 4-(4-cyclopentyloxyphenyl)sulfonyl-2,5-dimethylmorpholine (CID 110727700) is 4-(4-cyclopentyloxyphenyl)sulfonyl-2,5-dimethylmorpholine.
What is the SMILES notation for 4-(4-cyclopentyloxyphenyl)sulfonyl-2,5-dimethylmorpholine?
The canonical SMILES for 4-(4-cyclopentyloxyphenyl)sulfonyl-2,5-dimethylmorpholine is CC1CN(S(=O)(=O)c2ccc(OC3CCCC3)cc2)C(C)CO1.
What is the InChIKey of 4-(4-cyclopentyloxyphenyl)sulfonyl-2,5-dimethylmorpholine?
The InChIKey is UMTJMRYTWNODDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4S/c1-13-12-21-14(2)11-18(13)23(19,20)17-9-7-16(8-10-17)22-15-5-3-4-6-15/h7-10,13-15H,3-6,11-12H2,1-2H3.
What are the key properties of 4-(4-cyclopentyloxyphenyl)sulfonyl-2,5-dimethylmorpholine?
4-(4-cyclopentyloxyphenyl)sulfonyl-2,5-dimethylmorpholine has a molecular weight of 339.46 g/mol, XLogP of 2.81, 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-2,5-dimethylmorpholine is sourced from PubChem (CID 110727700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).