5-methyl-4-(5-methylthiophen-2-yl)sulfonyl-2-phenylmorpholine

C16H19NO3S2 — CID 110369404

IUPAC5-methyl-4-(5-methylthiophen-2-yl)sulfonyl-2-phenylmorpholine
SMILESCc1ccc(S(=O)(=O)N2CC(c3ccccc3)OCC2C)s1
InChIInChI=1S/C16H19NO3S2/c1-12-11-20-15(14-6-4-3-5-7-14)10-17(12)22(18,19)16-9-8-13(2)21-16/h3-9,12,15H,10-11H2,1-2H3
InChIKeyDJDJQJHFGSMERF-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.21
Rot. Bonds3

About 5-methyl-4-(5-methylthiophen-2-yl)sulfonyl-2-phenylmorpholine

5-methyl-4-(5-methylthiophen-2-yl)sulfonyl-2-phenylmorpholine (PubChem CID 110369404) has the molecular formula C16H19NO3S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is 5-methyl-4-(5-methylthiophen-2-yl)sulfonyl-2-phenylmorpholine.

Molecular Properties

Compound Name5-methyl-4-(5-methylthiophen-2-yl)sulfonyl-2-phenylmorpholine
PubChem CID110369404
Molecular FormulaC16H19NO3S2
Molecular Weight337.47 g/mol
Exact Mass337.08
IUPAC Name5-methyl-4-(5-methylthiophen-2-yl)sulfonyl-2-phenylmorpholine
SMILESCc1ccc(S(=O)(=O)N2CC(c3ccccc3)OCC2C)s1
InChIInChI=1S/C16H19NO3S2/c1-12-11-20-15(14-6-4-3-5-7-14)10-17(12)22(18,19)16-9-8-13(2)21-16/h3-9,12,15H,10-11H2,1-2H3
InChIKeyDJDJQJHFGSMERF-UHFFFAOYSA-N
XLogP3.21
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(benzenesulfonyl)-5-methyl-2-phenylmorpholine
CID 110369381
(2R)-4-(5-methylthiophen-2-yl)sulfonyl-2-phenylmorpholine
CID 25281404
4-(2,5-dimethylphenyl)sulfonyl-5-methyl-2-phenylmorpholine
CID 110369387
(2R,5S)-N,N,5-trimethyl-2-phenylmorpholine-4-sulfonamide
CID 95177243
4-(3-chloro-4-methylphenyl)sulfonyl-5-methyl-2-phenylmorpholine
CID 110369409
(2S,5R)-4-(5-fluoro-2-methylphenyl)sulfonyl-5-methyl-2-phenylmorpholine
CID 146099586
4-(3,4-dichlorophenyl)sulfonyl-5-methyl-2-phenylmorpholine
CID 110369392
4-benzylsulfonyl-5-methyl-2-phenylmorpholine
CID 110369410
4-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-5-methyl-2-phenylmorpholine
CID 110369422
5-methyl-4-[(3-methylphenyl)methylsulfonyl]-2-phenylmorpholine
CID 110369412
5-methyl-2-(4-methylphenyl)-4-methylsulfonylmorpholine
CID 110369509
2,3-dimethyl-4-(5-methylthiophen-2-yl)sulfonylmorpholine
CID 110727844

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(5-methylthiophen-2-yl)sulfonyl-2-phenylmorpholine?
The IUPAC name of 5-methyl-4-(5-methylthiophen-2-yl)sulfonyl-2-phenylmorpholine (CID 110369404) is 5-methyl-4-(5-methylthiophen-2-yl)sulfonyl-2-phenylmorpholine.
What is the SMILES notation for 5-methyl-4-(5-methylthiophen-2-yl)sulfonyl-2-phenylmorpholine?
The canonical SMILES for 5-methyl-4-(5-methylthiophen-2-yl)sulfonyl-2-phenylmorpholine is Cc1ccc(S(=O)(=O)N2CC(c3ccccc3)OCC2C)s1.
What is the InChIKey of 5-methyl-4-(5-methylthiophen-2-yl)sulfonyl-2-phenylmorpholine?
The InChIKey is DJDJQJHFGSMERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S2/c1-12-11-20-15(14-6-4-3-5-7-14)10-17(12)22(18,19)16-9-8-13(2)21-16/h3-9,12,15H,10-11H2,1-2H3.
What are the key properties of 5-methyl-4-(5-methylthiophen-2-yl)sulfonyl-2-phenylmorpholine?
5-methyl-4-(5-methylthiophen-2-yl)sulfonyl-2-phenylmorpholine has a molecular weight of 337.47 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(5-methylthiophen-2-yl)sulfonyl-2-phenylmorpholine is sourced from PubChem (CID 110369404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).