2,6-dimethyl-4-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]morpholine

C15H24N2O3S2 — CID 47813945

IUPAC2,6-dimethyl-4-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]morpholine
SMILESCC1CN(CC2CCCN2S(=O)(=O)c2cccs2)CC(C)O1
InChIInChI=1S/C15H24N2O3S2/c1-12-9-16(10-13(2)20-12)11-14-5-3-7-17(14)22(18,19)15-6-4-8-21-15/h4,6,8,12-14H,3,5,7,9-11H2,1-2H3
InChIKeyKIUDJVFWKOLWKS-UHFFFAOYSA-N
MW344.50 g/mol
LogP2.01
Rot. Bonds4

About 2,6-dimethyl-4-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]morpholine

2,6-dimethyl-4-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]morpholine (PubChem CID 47813945) has the molecular formula C15H24N2O3S2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 2,6-dimethyl-4-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]morpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]morpholine
PubChem CID47813945
Molecular FormulaC15H24N2O3S2
Molecular Weight344.50 g/mol
Exact Mass344.12
IUPAC Name2,6-dimethyl-4-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]morpholine
SMILESCC1CN(CC2CCCN2S(=O)(=O)c2cccs2)CC(C)O1
InChIInChI=1S/C15H24N2O3S2/c1-12-9-16(10-13(2)20-12)11-14-5-3-7-17(14)22(18,19)15-6-4-8-21-15/h4,6,8,12-14H,3,5,7,9-11H2,1-2H3
InChIKeyKIUDJVFWKOLWKS-UHFFFAOYSA-N
XLogP2.01
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanol
CID 61408705
4-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]sulfonylbenzonitrile
CID 47813972
1-[4-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]sulfonylphenyl]ethanone
CID 47813960
2,6-dimethyl-4-thiophen-2-ylsulfonylmorpholine
CID 2942574
4-[[1-(2-bromo-5-methylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methyl]-2,6-dimethylmorpholine
CID 47075553
2-(2-chloropropyl)-1-thiophen-2-ylsulfonylazepane
CID 112748624
4-[[1-(2-methoxy-5-nitrophenyl)sulfonylpyrrolidin-2-yl]methyl]-2,6-dimethylmorpholine
CID 47813924
N-methyl-N'-[[(2S)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]oxamide
CID 7286403
1-phenyl-2-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)ethanol
CID 71911232
2-propan-2-yl-1-thiophen-2-ylsulfonylpyrrolidine
CID 110728294
N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]cyclopropanesulfonamide
CID 121084159
[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 95378374

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]morpholine?
The IUPAC name of 2,6-dimethyl-4-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]morpholine (CID 47813945) is 2,6-dimethyl-4-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]morpholine.
What is the SMILES notation for 2,6-dimethyl-4-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]morpholine?
The canonical SMILES for 2,6-dimethyl-4-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]morpholine is CC1CN(CC2CCCN2S(=O)(=O)c2cccs2)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-4-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]morpholine?
The InChIKey is KIUDJVFWKOLWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S2/c1-12-9-16(10-13(2)20-12)11-14-5-3-7-17(14)22(18,19)15-6-4-8-21-15/h4,6,8,12-14H,3,5,7,9-11H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]morpholine?
2,6-dimethyl-4-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]morpholine has a molecular weight of 344.50 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]morpholine is sourced from PubChem (CID 47813945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).