2-(4-propan-2-ylphenyl)sulfonylmorpholine

C13H19NO3S — CID 117037126

IUPAC2-(4-propan-2-ylphenyl)sulfonylmorpholine
SMILESCC(C)c1ccc(S(=O)(=O)C2CNCCO2)cc1
InChIInChI=1S/C13H19NO3S/c1-10(2)11-3-5-12(6-4-11)18(15,16)13-9-14-7-8-17-13/h3-6,10,13-14H,7-9H2,1-2H3
InChIKeyDRFOCBRCMMNCDQ-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.53
Rot. Bonds3

About 2-(4-propan-2-ylphenyl)sulfonylmorpholine

2-(4-propan-2-ylphenyl)sulfonylmorpholine (PubChem CID 117037126) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name2-(4-propan-2-ylphenyl)sulfonylmorpholine
PubChem CID117037126
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name2-(4-propan-2-ylphenyl)sulfonylmorpholine
SMILESCC(C)c1ccc(S(=O)(=O)C2CNCCO2)cc1
InChIInChI=1S/C13H19NO3S/c1-10(2)11-3-5-12(6-4-11)18(15,16)13-9-14-7-8-17-13/h3-6,10,13-14H,7-9H2,1-2H3
InChIKeyDRFOCBRCMMNCDQ-UHFFFAOYSA-N
XLogP1.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)sulfonylmorpholine
CID 117037120
2-(benzenesulfonyl)morpholine
CID 19848023
N-(morpholin-2-ylmethyl)-4-propan-2-ylbenzenesulfonamide
CID 115323924
morpholin-2-yl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 119680788
N-methyl-4-propan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119978960
2-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]sulfonylmorpholine
CID 24961513
(2R)-2-[cyanomethyl-[2,2,2-trifluoro-1-[4-(4-morpholin-2-ylsulfonylphenyl)phenyl]ethyl]amino]-4-methylpentanamide
CID 87982067
2-(4-cyclopropylsulfonylphenyl)morpholine
CID 117421824
2-morpholin-2-yl-5-propan-2-ylphenol
CID 117316057
(2S)-2-(4-methylsulfonylphenyl)morpholine
CID 93302356
2-morpholin-2-yl-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide;hydrochloride
CID 119686106
2-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]morpholine
CID 116868516

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylphenyl)sulfonylmorpholine?
The IUPAC name of 2-(4-propan-2-ylphenyl)sulfonylmorpholine (CID 117037126) is 2-(4-propan-2-ylphenyl)sulfonylmorpholine.
What is the SMILES notation for 2-(4-propan-2-ylphenyl)sulfonylmorpholine?
The canonical SMILES for 2-(4-propan-2-ylphenyl)sulfonylmorpholine is CC(C)c1ccc(S(=O)(=O)C2CNCCO2)cc1.
What is the InChIKey of 2-(4-propan-2-ylphenyl)sulfonylmorpholine?
The InChIKey is DRFOCBRCMMNCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-10(2)11-3-5-12(6-4-11)18(15,16)13-9-14-7-8-17-13/h3-6,10,13-14H,7-9H2,1-2H3.
What are the key properties of 2-(4-propan-2-ylphenyl)sulfonylmorpholine?
2-(4-propan-2-ylphenyl)sulfonylmorpholine has a molecular weight of 269.37 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylphenyl)sulfonylmorpholine is sourced from PubChem (CID 117037126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).