4-(5-ethylthiophen-2-yl)sulfonyl-2-phenylmorpholine

C16H19NO3S2 — CID 16895262

IUPAC4-(5-ethylthiophen-2-yl)sulfonyl-2-phenylmorpholine
SMILESCCc1ccc(S(=O)(=O)N2CCOC(c3ccccc3)C2)s1
InChIInChI=1S/C16H19NO3S2/c1-2-14-8-9-16(21-14)22(18,19)17-10-11-20-15(12-17)13-6-4-3-5-7-13/h3-9,15H,2,10-12H2,1H3
InChIKeyVRLDMCKNZIRITO-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.07
Rot. Bonds4

About 4-(5-ethylthiophen-2-yl)sulfonyl-2-phenylmorpholine

4-(5-ethylthiophen-2-yl)sulfonyl-2-phenylmorpholine (PubChem CID 16895262) has the molecular formula C16H19NO3S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is 4-(5-ethylthiophen-2-yl)sulfonyl-2-phenylmorpholine.

Molecular Properties

Compound Name4-(5-ethylthiophen-2-yl)sulfonyl-2-phenylmorpholine
PubChem CID16895262
Molecular FormulaC16H19NO3S2
Molecular Weight337.47 g/mol
Exact Mass337.08
IUPAC Name4-(5-ethylthiophen-2-yl)sulfonyl-2-phenylmorpholine
SMILESCCc1ccc(S(=O)(=O)N2CCOC(c3ccccc3)C2)s1
InChIInChI=1S/C16H19NO3S2/c1-2-14-8-9-16(21-14)22(18,19)17-10-11-20-15(12-17)13-6-4-3-5-7-13/h3-9,15H,2,10-12H2,1H3
InChIKeyVRLDMCKNZIRITO-UHFFFAOYSA-N
XLogP3.07
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-(Methylsulfonyl)phenyl)-4-propylmorpholine
CID 44443909
1'-(p-Tolylsulfonyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 134817021
1-[2-Phenyl-2-(thiophen-2-ylmethoxy)ethyl]piperidine
CID 408859
2-(3-Fluorobenzyl)-4-(2-thienylsulfonyl)morpholine
CID 45216431
(4S,5R)-4-methyl-5-phenyl-3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,3-oxazolidin-2-one
CID 74224276
1'-(Benzenesulfonyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 134816990
1'-(4-Fluorophenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 134817081
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylthiophene-2-sulfonamide
CID 3704449
N-(2-(2-phenylmorpholino)ethyl)thiophene-2-sulfonamide
CID 16892676
N-(3-(2-phenylmorpholino)propyl)thiophene-2-sulfonamide
CID 16892763
N-(2-oxo-2-(2-phenylmorpholino)ethyl)thiophene-2-sulfonamide
CID 16895072
5-methyl-N-(2-oxo-2-(2-phenylmorpholino)ethyl)thiophene-2-sulfonamide
CID 16895113

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethylthiophen-2-yl)sulfonyl-2-phenylmorpholine?
The IUPAC name of 4-(5-ethylthiophen-2-yl)sulfonyl-2-phenylmorpholine (CID 16895262) is 4-(5-ethylthiophen-2-yl)sulfonyl-2-phenylmorpholine.
What is the SMILES notation for 4-(5-ethylthiophen-2-yl)sulfonyl-2-phenylmorpholine?
The canonical SMILES for 4-(5-ethylthiophen-2-yl)sulfonyl-2-phenylmorpholine is CCc1ccc(S(=O)(=O)N2CCOC(c3ccccc3)C2)s1.
What is the InChIKey of 4-(5-ethylthiophen-2-yl)sulfonyl-2-phenylmorpholine?
The InChIKey is VRLDMCKNZIRITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S2/c1-2-14-8-9-16(21-14)22(18,19)17-10-11-20-15(12-17)13-6-4-3-5-7-13/h3-9,15H,2,10-12H2,1H3.
What are the key properties of 4-(5-ethylthiophen-2-yl)sulfonyl-2-phenylmorpholine?
4-(5-ethylthiophen-2-yl)sulfonyl-2-phenylmorpholine has a molecular weight of 337.47 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethylthiophen-2-yl)sulfonyl-2-phenylmorpholine is sourced from PubChem (CID 16895262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).