(2,3-dimethylthiomorpholin-4-yl)-(4-methoxypyrrolidin-2-yl)methanone

C12H22N2O2S — CID 113315037

IUPAC(2,3-dimethylthiomorpholin-4-yl)-(4-methoxypyrrolidin-2-yl)methanone
SMILESCOC1CNC(C(=O)N2CCSC(C)C2C)C1
InChIInChI=1S/C12H22N2O2S/c1-8-9(2)17-5-4-14(8)12(15)11-6-10(16-3)7-13-11/h8-11,13H,4-7H2,1-3H3
InChIKeyQRDRIZKBSYPTSS-UHFFFAOYSA-N
MW258.39 g/mol
LogP0.72
Rot. Bonds2

About (2,3-dimethylthiomorpholin-4-yl)-(4-methoxypyrrolidin-2-yl)methanone

(2,3-dimethylthiomorpholin-4-yl)-(4-methoxypyrrolidin-2-yl)methanone (PubChem CID 113315037) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is (2,3-dimethylthiomorpholin-4-yl)-(4-methoxypyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(2,3-dimethylthiomorpholin-4-yl)-(4-methoxypyrrolidin-2-yl)methanone
PubChem CID113315037
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC Name(2,3-dimethylthiomorpholin-4-yl)-(4-methoxypyrrolidin-2-yl)methanone
SMILESCOC1CNC(C(=O)N2CCSC(C)C2C)C1
InChIInChI=1S/C12H22N2O2S/c1-8-9(2)17-5-4-14(8)12(15)11-6-10(16-3)7-13-11/h8-11,13H,4-7H2,1-3H3
InChIKeyQRDRIZKBSYPTSS-UHFFFAOYSA-N
XLogP0.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-dimethylpiperazin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone
CID 113315084
(2,2-dimethylthiomorpholin-4-yl)-[(2S,4S)-4-methoxypyrrolidin-2-yl]methanone
CID 128980849
(2,3-dimethylthiomorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120634084
1-(4-methoxypyrrolidine-2-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918579
1-[4-(4-methoxypyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 55003223
(2S,4S)-4-hydroxy-1-(4-methoxypyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 64714436
(5-ethyl-2-methylmorpholin-4-yl)-(4-methoxypyrrolidin-2-yl)methanone
CID 61214758
1-(4-methoxypyrrolidine-2-carbonyl)piperidine-4-carboxylic acid
CID 61214955
1-(4-methoxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one
CID 116560655
(4-ethylpiperidin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone
CID 61213634
methyl (2S,4S)-4-methoxypyrrolidine-2-carboxylate
CID 14036209
4-methoxypyrrolidine-2-carboxylic acid;hydrochloride
CID 77213691

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylthiomorpholin-4-yl)-(4-methoxypyrrolidin-2-yl)methanone?
The IUPAC name of (2,3-dimethylthiomorpholin-4-yl)-(4-methoxypyrrolidin-2-yl)methanone (CID 113315037) is (2,3-dimethylthiomorpholin-4-yl)-(4-methoxypyrrolidin-2-yl)methanone.
What is the SMILES notation for (2,3-dimethylthiomorpholin-4-yl)-(4-methoxypyrrolidin-2-yl)methanone?
The canonical SMILES for (2,3-dimethylthiomorpholin-4-yl)-(4-methoxypyrrolidin-2-yl)methanone is COC1CNC(C(=O)N2CCSC(C)C2C)C1.
What is the InChIKey of (2,3-dimethylthiomorpholin-4-yl)-(4-methoxypyrrolidin-2-yl)methanone?
The InChIKey is QRDRIZKBSYPTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-8-9(2)17-5-4-14(8)12(15)11-6-10(16-3)7-13-11/h8-11,13H,4-7H2,1-3H3.
What are the key properties of (2,3-dimethylthiomorpholin-4-yl)-(4-methoxypyrrolidin-2-yl)methanone?
(2,3-dimethylthiomorpholin-4-yl)-(4-methoxypyrrolidin-2-yl)methanone has a molecular weight of 258.39 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylthiomorpholin-4-yl)-(4-methoxypyrrolidin-2-yl)methanone is sourced from PubChem (CID 113315037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).