4-[2-(2-methylpropyl)-4-propan-2-ylphenyl]sulfonylmorpholine

C17H27NO3S — CID 163628982

IUPAC4-[2-(2-methylpropyl)-4-propan-2-ylphenyl]sulfonylmorpholine
SMILESCC(C)Cc1cc(C(C)C)ccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C17H27NO3S/c1-13(2)11-16-12-15(14(3)4)5-6-17(16)22(19,20)18-7-9-21-10-8-18/h5-6,12-14H,7-11H2,1-4H3
InChIKeyHULJBHQYBSRFJU-UHFFFAOYSA-N
MW325.47 g/mol
LogP3.03
Rot. Bonds5

About 4-[2-(2-methylpropyl)-4-propan-2-ylphenyl]sulfonylmorpholine

4-[2-(2-methylpropyl)-4-propan-2-ylphenyl]sulfonylmorpholine (PubChem CID 163628982) has the molecular formula C17H27NO3S and a molecular weight of 325.47 g/mol. Its IUPAC name is 4-[2-(2-methylpropyl)-4-propan-2-ylphenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[2-(2-methylpropyl)-4-propan-2-ylphenyl]sulfonylmorpholine
PubChem CID163628982
Molecular FormulaC17H27NO3S
Molecular Weight325.47 g/mol
Exact Mass325.17
IUPAC Name4-[2-(2-methylpropyl)-4-propan-2-ylphenyl]sulfonylmorpholine
SMILESCC(C)Cc1cc(C(C)C)ccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C17H27NO3S/c1-13(2)11-16-12-15(14(3)4)5-6-17(16)22(19,20)18-7-9-21-10-8-18/h5-6,12-14H,7-11H2,1-4H3
InChIKeyHULJBHQYBSRFJU-UHFFFAOYSA-N
XLogP3.03
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.47
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-methylpropyl)-4-propan-2-ylphenyl]sulfonylpiperidine
CID 166781858
4-(2,3-dimethyl-5-propan-2-ylphenyl)sulfonylmorpholine;ethane;methane
CID 176665368
N-[(2-morpholin-4-ylsulfonylphenyl)methyl]propan-2-amine
CID 60721221
(5-fluoro-2-morpholin-4-ylsulfonylphenyl)methanamine;hydrochloride
CID 66878651
bis(4-(2-benzylphenyl)sulfonylmorpholine);sulfane
CID 68565404
1-ethylsulfonyl-4-(2-methyl-5-propan-2-ylphenyl)sulfonylpiperazine
CID 110819026
N-methyl-2-morpholin-4-ylsulfonyl-4-nitro-N-[(4-propan-2-ylphenyl)methyl]aniline
CID 26453025
N-(4-morpholin-4-ylsulfonylphenyl)-2-(4-propan-2-ylanilino)acetamide
CID 25332078
1-methyl-4-[2-(2-methylpropyl)phenyl]piperazine;4-[2-(2-methylpropyl)phenyl]morpholine;1-[3-(2-methylpropyl)phenyl]pyrrolidine;4-[2-(2-methylpropyl)phenyl]sulfonylmorpholine
CID 158715418
1-[4-morpholin-4-ylsulfonyl-3-(1,3-thiazol-2-yl)phenyl]ethanamine
CID 59506282
4-(2,4-dichloro-3-methylphenyl)sulfonylmorpholine
CID 881417
4-[5-(chloromethyl)-2-methylfuran-3-yl]sulfonylmorpholine
CID 39733408

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methylpropyl)-4-propan-2-ylphenyl]sulfonylmorpholine?
The IUPAC name of 4-[2-(2-methylpropyl)-4-propan-2-ylphenyl]sulfonylmorpholine (CID 163628982) is 4-[2-(2-methylpropyl)-4-propan-2-ylphenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[2-(2-methylpropyl)-4-propan-2-ylphenyl]sulfonylmorpholine?
The canonical SMILES for 4-[2-(2-methylpropyl)-4-propan-2-ylphenyl]sulfonylmorpholine is CC(C)Cc1cc(C(C)C)ccc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-[2-(2-methylpropyl)-4-propan-2-ylphenyl]sulfonylmorpholine?
The InChIKey is HULJBHQYBSRFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3S/c1-13(2)11-16-12-15(14(3)4)5-6-17(16)22(19,20)18-7-9-21-10-8-18/h5-6,12-14H,7-11H2,1-4H3.
What are the key properties of 4-[2-(2-methylpropyl)-4-propan-2-ylphenyl]sulfonylmorpholine?
4-[2-(2-methylpropyl)-4-propan-2-ylphenyl]sulfonylmorpholine has a molecular weight of 325.47 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methylpropyl)-4-propan-2-ylphenyl]sulfonylmorpholine is sourced from PubChem (CID 163628982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).