4-(2,3-dimethyl-5-propan-2-ylphenyl)sulfonylmorpholine;ethane;methane

C18H33NO3S — CID 176665368

IUPAC4-(2,3-dimethyl-5-propan-2-ylphenyl)sulfonylmorpholine;ethane;methane
SMILESC.CC.Cc1cc(C(C)C)cc(S(=O)(=O)N2CCOCC2)c1C
InChIInChI=1S/C15H23NO3S.C2H6.CH4/c1-11(2)14-9-12(3)13(4)15(10-14)20(17,18)16-5-7-19-8-6-16;1-2;/h9-11H,5-8H2,1-4H3;1-2H3;1H4
InChIKeyFLQFTBLFZJLMCW-UHFFFAOYSA-N
MW343.53 g/mol
LogP4.11
Rot. Bonds3

About 4-(2,3-dimethyl-5-propan-2-ylphenyl)sulfonylmorpholine;ethane;methane

4-(2,3-dimethyl-5-propan-2-ylphenyl)sulfonylmorpholine;ethane;methane (PubChem CID 176665368) has the molecular formula C18H33NO3S and a molecular weight of 343.53 g/mol. Its IUPAC name is 4-(2,3-dimethyl-5-propan-2-ylphenyl)sulfonylmorpholine;ethane;methane.

Molecular Properties

Compound Name4-(2,3-dimethyl-5-propan-2-ylphenyl)sulfonylmorpholine;ethane;methane
PubChem CID176665368
Molecular FormulaC18H33NO3S
Molecular Weight343.53 g/mol
Exact Mass343.22
IUPAC Name4-(2,3-dimethyl-5-propan-2-ylphenyl)sulfonylmorpholine;ethane;methane
SMILESC.CC.Cc1cc(C(C)C)cc(S(=O)(=O)N2CCOCC2)c1C
InChIInChI=1S/C15H23NO3S.C2H6.CH4/c1-11(2)14-9-12(3)13(4)15(10-14)20(17,18)16-5-7-19-8-6-16;1-2;/h9-11H,5-8H2,1-4H3;1-2H3;1H4
InChIKeyFLQFTBLFZJLMCW-UHFFFAOYSA-N
XLogP4.11
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.53
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2-methylpropyl)-4-propan-2-ylphenyl]sulfonylmorpholine
CID 163628982
4-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylmorpholine
CID 747368
4-(2,4-dichloro-5-methylphenyl)sulfonylmorpholine
CID 775833
5-chloro-2-methyl-3-morpholin-4-ylsulfonylbenzoic acid
CID 82883717
4-(3-methyl-1-oxidopyridin-1-ium-4-yl)sulfonylmorpholine
CID 69166222
4-(2,4-dichloro-3-methylphenyl)sulfonylmorpholine
CID 881417
4-(2-methoxy-3,5-dimethylphenyl)sulfonylmorpholine
CID 110758314
1-ethylsulfonyl-4-(2-methyl-5-propan-2-ylphenyl)sulfonylpiperazine
CID 110819026
(4-methyl-3-morpholin-4-ylsulfonylphenyl)boronic acid
CID 91759049
4-(1,4,7-dioxazonan-7-ylsulfonyl)-3-methylbenzoic acid
CID 166273277
4-(3-bromo-2,4,6-trimethylphenyl)sulfonylmorpholine
CID 7731309
4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 3668064

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethyl-5-propan-2-ylphenyl)sulfonylmorpholine;ethane;methane?
The IUPAC name of 4-(2,3-dimethyl-5-propan-2-ylphenyl)sulfonylmorpholine;ethane;methane (CID 176665368) is 4-(2,3-dimethyl-5-propan-2-ylphenyl)sulfonylmorpholine;ethane;methane.
What is the SMILES notation for 4-(2,3-dimethyl-5-propan-2-ylphenyl)sulfonylmorpholine;ethane;methane?
The canonical SMILES for 4-(2,3-dimethyl-5-propan-2-ylphenyl)sulfonylmorpholine;ethane;methane is C.CC.Cc1cc(C(C)C)cc(S(=O)(=O)N2CCOCC2)c1C.
What is the InChIKey of 4-(2,3-dimethyl-5-propan-2-ylphenyl)sulfonylmorpholine;ethane;methane?
The InChIKey is FLQFTBLFZJLMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S.C2H6.CH4/c1-11(2)14-9-12(3)13(4)15(10-14)20(17,18)16-5-7-19-8-6-16;1-2;/h9-11H,5-8H2,1-4H3;1-2H3;1H4.
What are the key properties of 4-(2,3-dimethyl-5-propan-2-ylphenyl)sulfonylmorpholine;ethane;methane?
4-(2,3-dimethyl-5-propan-2-ylphenyl)sulfonylmorpholine;ethane;methane has a molecular weight of 343.53 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethyl-5-propan-2-ylphenyl)sulfonylmorpholine;ethane;methane is sourced from PubChem (CID 176665368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).