2,6-dimethyl-4-(2-thiophen-2-ylpyrrolidin-1-yl)sulfonylmorpholine

C14H22N2O3S2 — CID 51330890

IUPAC2,6-dimethyl-4-(2-thiophen-2-ylpyrrolidin-1-yl)sulfonylmorpholine
SMILESCC1CN(S(=O)(=O)N2CCCC2c2cccs2)CC(C)O1
InChIInChI=1S/C14H22N2O3S2/c1-11-9-15(10-12(2)19-11)21(17,18)16-7-3-5-13(16)14-6-4-8-20-14/h4,6,8,11-13H,3,5,7,9-10H2,1-2H3
InChIKeyADRUNGUQNCBXNY-UHFFFAOYSA-N
MW330.48 g/mol
LogP2.24
Rot. Bonds3

About 2,6-dimethyl-4-(2-thiophen-2-ylpyrrolidin-1-yl)sulfonylmorpholine

2,6-dimethyl-4-(2-thiophen-2-ylpyrrolidin-1-yl)sulfonylmorpholine (PubChem CID 51330890) has the molecular formula C14H22N2O3S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 2,6-dimethyl-4-(2-thiophen-2-ylpyrrolidin-1-yl)sulfonylmorpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-(2-thiophen-2-ylpyrrolidin-1-yl)sulfonylmorpholine
PubChem CID51330890
Molecular FormulaC14H22N2O3S2
Molecular Weight330.48 g/mol
Exact Mass330.11
IUPAC Name2,6-dimethyl-4-(2-thiophen-2-ylpyrrolidin-1-yl)sulfonylmorpholine
SMILESCC1CN(S(=O)(=O)N2CCCC2c2cccs2)CC(C)O1
InChIInChI=1S/C14H22N2O3S2/c1-11-9-15(10-12(2)19-11)21(17,18)16-7-3-5-13(16)14-6-4-8-20-14/h4,6,8,11-13H,3,5,7,9-10H2,1-2H3
InChIKeyADRUNGUQNCBXNY-UHFFFAOYSA-N
XLogP2.24
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,5S)-2,5-dimethyl-4-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]sulfonylmorpholine
CID 129422067
2-(2-thiophen-2-ylpyrrolidin-1-yl)sulfonylacetic acid
CID 60953541
(2R,6R)-4-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl-2,6-dimethylmorpholine
CID 129376938
4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]sulfonyl-2,6-dimethylmorpholine
CID 46511252
4-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-2,6-dimethylmorpholine
CID 51331124
2,6-dimethyl-4-thiophen-2-ylsulfonylmorpholine
CID 2942574
1-(benzenesulfonyl)-2-thiophen-2-ylazepane
CID 22586782
1-(4-chlorobutylsulfonyl)-2-thiophen-2-ylpyrrolidine
CID 116815219
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-2-thiophen-2-ylpyrrolidine
CID 51550798
(2R)-1-(2,6-dimethylmorpholin-4-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 55150411
(2S)-1-(3,4-dimethoxyphenyl)sulfonyl-2-thiophen-2-ylpyrrolidine
CID 26821437
4-methyl-3-(2-thiophen-2-ylpyrrolidin-1-yl)sulfonylaniline
CID 61128133

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(2-thiophen-2-ylpyrrolidin-1-yl)sulfonylmorpholine?
The IUPAC name of 2,6-dimethyl-4-(2-thiophen-2-ylpyrrolidin-1-yl)sulfonylmorpholine (CID 51330890) is 2,6-dimethyl-4-(2-thiophen-2-ylpyrrolidin-1-yl)sulfonylmorpholine.
What is the SMILES notation for 2,6-dimethyl-4-(2-thiophen-2-ylpyrrolidin-1-yl)sulfonylmorpholine?
The canonical SMILES for 2,6-dimethyl-4-(2-thiophen-2-ylpyrrolidin-1-yl)sulfonylmorpholine is CC1CN(S(=O)(=O)N2CCCC2c2cccs2)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-4-(2-thiophen-2-ylpyrrolidin-1-yl)sulfonylmorpholine?
The InChIKey is ADRUNGUQNCBXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S2/c1-11-9-15(10-12(2)19-11)21(17,18)16-7-3-5-13(16)14-6-4-8-20-14/h4,6,8,11-13H,3,5,7,9-10H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-(2-thiophen-2-ylpyrrolidin-1-yl)sulfonylmorpholine?
2,6-dimethyl-4-(2-thiophen-2-ylpyrrolidin-1-yl)sulfonylmorpholine has a molecular weight of 330.48 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(2-thiophen-2-ylpyrrolidin-1-yl)sulfonylmorpholine is sourced from PubChem (CID 51330890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).