(2R)-2-(5-methylfuran-2-yl)-4-(2-thiophen-2-ylethylsulfonyl)morpholine

C15H19NO4S2 — CID 99843979

IUPAC(2R)-2-(5-methylfuran-2-yl)-4-(2-thiophen-2-ylethylsulfonyl)morpholine
SMILESCc1ccc([C@H]2CN(S(=O)(=O)CCc3cccs3)CCO2)o1
InChIInChI=1S/C15H19NO4S2/c1-12-4-5-14(20-12)15-11-16(7-8-19-15)22(17,18)10-6-13-3-2-9-21-13/h2-5,9,15H,6-8,10-11H2,1H3/t15-/m1/s1
InChIKeyOQPVSFIZCHVXMB-OAHLLOKOSA-N
MW341.45 g/mol
LogP2.60
Rot. Bonds5

About (2R)-2-(5-methylfuran-2-yl)-4-(2-thiophen-2-ylethylsulfonyl)morpholine

(2R)-2-(5-methylfuran-2-yl)-4-(2-thiophen-2-ylethylsulfonyl)morpholine (PubChem CID 99843979) has the molecular formula C15H19NO4S2 and a molecular weight of 341.45 g/mol. Its IUPAC name is (2R)-2-(5-methylfuran-2-yl)-4-(2-thiophen-2-ylethylsulfonyl)morpholine.

Molecular Properties

Compound Name(2R)-2-(5-methylfuran-2-yl)-4-(2-thiophen-2-ylethylsulfonyl)morpholine
PubChem CID99843979
Molecular FormulaC15H19NO4S2
Molecular Weight341.45 g/mol
Exact Mass341.08
IUPAC Name(2R)-2-(5-methylfuran-2-yl)-4-(2-thiophen-2-ylethylsulfonyl)morpholine
SMILESCc1ccc([C@H]2CN(S(=O)(=O)CCc3cccs3)CCO2)o1
InChIInChI=1S/C15H19NO4S2/c1-12-4-5-14(20-12)15-11-16(7-8-19-15)22(17,18)10-6-13-3-2-9-21-13/h2-5,9,15H,6-8,10-11H2,1H3/t15-/m1/s1
InChIKeyOQPVSFIZCHVXMB-OAHLLOKOSA-N
XLogP2.60
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[(2R)-1-cyanopropan-2-yl]-N-methyl-2-(5-methylfuran-2-yl)morpholine-4-sulfonamide
CID 100743992
(2S)-4-(2-ethylsulfonylphenyl)-2-(5-methylfuran-2-yl)morpholine
CID 100665177
(2R)-2-methyl-4-(2-phenylethylsulfonyl)morpholine
CID 51710241
(1S)-2,2-diethyl-4-(2-thiophen-2-ylethylsulfonyl)-1,4-thiazinane 1-oxide
CID 99844031
4-[2-(4-methoxyphenyl)ethylsulfonyl]-2-(4-methylphenyl)morpholine
CID 121134912
(2R,3R)-2-methyl-1-(2-thiophen-2-ylethylsulfonyl)piperidine-3-carboxylic acid
CID 122104892
1-(2-thiophen-2-ylethylsulfonyl)-1,4-diazepane;hydrochloride
CID 120999403
N-methyl-1-[1-(2-thiophen-2-ylethylsulfonyl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 120875472
4-ethylsulfonyl-2-(2-methylpyrimidin-4-yl)morpholine
CID 110269895
2-(4-ethylphenyl)-4-(3-phenylpropylsulfonyl)morpholine
CID 110364078
2-(3-bromophenyl)-4-propylsulfonylmorpholine
CID 110364447
4-butylsulfonyl-2-(2-fluorophenyl)morpholine
CID 110326692

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-methylfuran-2-yl)-4-(2-thiophen-2-ylethylsulfonyl)morpholine?
The IUPAC name of (2R)-2-(5-methylfuran-2-yl)-4-(2-thiophen-2-ylethylsulfonyl)morpholine (CID 99843979) is (2R)-2-(5-methylfuran-2-yl)-4-(2-thiophen-2-ylethylsulfonyl)morpholine.
What is the SMILES notation for (2R)-2-(5-methylfuran-2-yl)-4-(2-thiophen-2-ylethylsulfonyl)morpholine?
The canonical SMILES for (2R)-2-(5-methylfuran-2-yl)-4-(2-thiophen-2-ylethylsulfonyl)morpholine is Cc1ccc([C@H]2CN(S(=O)(=O)CCc3cccs3)CCO2)o1.
What is the InChIKey of (2R)-2-(5-methylfuran-2-yl)-4-(2-thiophen-2-ylethylsulfonyl)morpholine?
The InChIKey is OQPVSFIZCHVXMB-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H19NO4S2/c1-12-4-5-14(20-12)15-11-16(7-8-19-15)22(17,18)10-6-13-3-2-9-21-13/h2-5,9,15H,6-8,10-11H2,1H3/t15-/m1/s1.
What are the key properties of (2R)-2-(5-methylfuran-2-yl)-4-(2-thiophen-2-ylethylsulfonyl)morpholine?
(2R)-2-(5-methylfuran-2-yl)-4-(2-thiophen-2-ylethylsulfonyl)morpholine has a molecular weight of 341.45 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-methylfuran-2-yl)-4-(2-thiophen-2-ylethylsulfonyl)morpholine is sourced from PubChem (CID 99843979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).