4-(5-ethylthiophen-2-yl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine

C18H23NO3S2 — CID 110369136

IUPAC4-(5-ethylthiophen-2-yl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine
SMILESCCc1ccc(S(=O)(=O)N2CC(C)OC(c3ccc(C)cc3)C2)s1
InChIInChI=1S/C18H23NO3S2/c1-4-16-9-10-18(23-16)24(20,21)19-11-14(3)22-17(12-19)15-7-5-13(2)6-8-15/h5-10,14,17H,4,11-12H2,1-3H3
InChIKeyHCHIPFAJRZOEMJ-UHFFFAOYSA-N
MW365.52 g/mol
LogP3.77
Rot. Bonds4

About 4-(5-ethylthiophen-2-yl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine

4-(5-ethylthiophen-2-yl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine (PubChem CID 110369136) has the molecular formula C18H23NO3S2 and a molecular weight of 365.52 g/mol. Its IUPAC name is 4-(5-ethylthiophen-2-yl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine.

Molecular Properties

Compound Name4-(5-ethylthiophen-2-yl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine
PubChem CID110369136
Molecular FormulaC18H23NO3S2
Molecular Weight365.52 g/mol
Exact Mass365.11
IUPAC Name4-(5-ethylthiophen-2-yl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine
SMILESCCc1ccc(S(=O)(=O)N2CC(C)OC(c3ccc(C)cc3)C2)s1
InChIInChI=1S/C18H23NO3S2/c1-4-16-9-10-18(23-16)24(20,21)19-11-14(3)22-17(12-19)15-7-5-13(2)6-8-15/h5-10,14,17H,4,11-12H2,1-3H3
InChIKeyHCHIPFAJRZOEMJ-UHFFFAOYSA-N
XLogP3.77
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxyphenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine
CID 110369123
4-(4-chlorophenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine
CID 110369122
4-butylsulfonyl-2-methyl-6-(4-methylphenyl)morpholine
CID 110369118
4-(2,5-dimethoxyphenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine
CID 110369131
1-(5-ethylthiophen-2-yl)sulfonyl-4-methylpiperidine
CID 110755253
2-methyl-4-[(4-methylphenyl)methylsulfonyl]-6-phenylmorpholine
CID 110369031
2-[4-(5-ethylthiophen-2-yl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylethanamine
CID 110290425
4-chloro-1-(5-ethylthiophen-2-yl)sulfonyl-3-methylpiperidine
CID 114683624
2-(5-ethylthiophen-2-yl)sulfonyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine;hydrochloride
CID 120583874
4-bromo-1-(5-ethylthiophen-2-yl)sulfonylpiperidine
CID 80673139
1-[5-(3,4-dimethylpyrrolidin-1-yl)sulfonylthiophen-2-yl]-N-methylmethanamine
CID 79187627
3-(chloromethyl)-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine
CID 63400980

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethylthiophen-2-yl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine?
The IUPAC name of 4-(5-ethylthiophen-2-yl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine (CID 110369136) is 4-(5-ethylthiophen-2-yl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine.
What is the SMILES notation for 4-(5-ethylthiophen-2-yl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine?
The canonical SMILES for 4-(5-ethylthiophen-2-yl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine is CCc1ccc(S(=O)(=O)N2CC(C)OC(c3ccc(C)cc3)C2)s1.
What is the InChIKey of 4-(5-ethylthiophen-2-yl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine?
The InChIKey is HCHIPFAJRZOEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3S2/c1-4-16-9-10-18(23-16)24(20,21)19-11-14(3)22-17(12-19)15-7-5-13(2)6-8-15/h5-10,14,17H,4,11-12H2,1-3H3.
What are the key properties of 4-(5-ethylthiophen-2-yl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine?
4-(5-ethylthiophen-2-yl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine has a molecular weight of 365.52 g/mol, XLogP of 3.77, 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-methyl-6-(4-methylphenyl)morpholine is sourced from PubChem (CID 110369136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).