(3-ethylsulfonylthiomorpholin-4-yl)-[(2R)-pyrrolidin-2-yl]methanone

C11H20N2O3S2 — CID 104901244

IUPAC(3-ethylsulfonylthiomorpholin-4-yl)-[(2R)-pyrrolidin-2-yl]methanone
SMILESCCS(=O)(=O)C1CSCCN1C(=O)[C@H]1CCCN1
InChIInChI=1S/C11H20N2O3S2/c1-2-18(15,16)10-8-17-7-6-13(10)11(14)9-4-3-5-12-9/h9-10,12H,2-8H2,1H3/t9-,10?/m1/s1
InChIKeySYZOTXIDETVCGX-YHMJZVADSA-N
MW292.43 g/mol
LogP0.07
Rot. Bonds3

About (3-ethylsulfonylthiomorpholin-4-yl)-[(2R)-pyrrolidin-2-yl]methanone

(3-ethylsulfonylthiomorpholin-4-yl)-[(2R)-pyrrolidin-2-yl]methanone (PubChem CID 104901244) has the molecular formula C11H20N2O3S2 and a molecular weight of 292.43 g/mol. Its IUPAC name is (3-ethylsulfonylthiomorpholin-4-yl)-[(2R)-pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name(3-ethylsulfonylthiomorpholin-4-yl)-[(2R)-pyrrolidin-2-yl]methanone
PubChem CID104901244
Molecular FormulaC11H20N2O3S2
Molecular Weight292.43 g/mol
Exact Mass292.09
IUPAC Name(3-ethylsulfonylthiomorpholin-4-yl)-[(2R)-pyrrolidin-2-yl]methanone
SMILESCCS(=O)(=O)C1CSCCN1C(=O)[C@H]1CCCN1
InChIInChI=1S/C11H20N2O3S2/c1-2-18(15,16)10-8-17-7-6-13(10)11(14)9-4-3-5-12-9/h9-10,12H,2-8H2,1H3/t9-,10?/m1/s1
InChIKeySYZOTXIDETVCGX-YHMJZVADSA-N
XLogP0.07
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-ethylsulfonylthiomorpholin-4-yl)-morpholin-3-ylmethanone
CID 66378520
5-(3-ethylsulfonylthiomorpholine-4-carbonyl)piperazin-2-one
CID 107436946
[2-(aminomethyl)cyclopentyl]-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 66375815
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 102893294
azepan-1-yl-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 116656575
2-(3-ethylsulfonylthiomorpholine-4-carbonyl)cyclopropane-1-carboxylic acid
CID 66377123
(2R)-1-(3-ethylsulfonylthiomorpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 66377773
ethyl 4-[(2R)-piperidine-2-carbonyl]thiomorpholine-3-carboxylate
CID 104913277
4-(3-ethylsulfonylthiomorpholin-4-yl)-4-oxobut-2-enoic acid
CID 77135722
3-chloro-1-(3-ethylsulfonylthiomorpholin-4-yl)-2,2-dimethylpropan-1-one
CID 66376553
2-hydroxyethyl 3-ethylsulfonylthiomorpholine-4-carboxylate
CID 79348567
3-ethylsulfonyl-4-(pyrrolidin-2-ylmethylsulfonyl)thiomorpholine
CID 66376027

Frequently Asked Questions

What is the IUPAC name of (3-ethylsulfonylthiomorpholin-4-yl)-[(2R)-pyrrolidin-2-yl]methanone?
The IUPAC name of (3-ethylsulfonylthiomorpholin-4-yl)-[(2R)-pyrrolidin-2-yl]methanone (CID 104901244) is (3-ethylsulfonylthiomorpholin-4-yl)-[(2R)-pyrrolidin-2-yl]methanone.
What is the SMILES notation for (3-ethylsulfonylthiomorpholin-4-yl)-[(2R)-pyrrolidin-2-yl]methanone?
The canonical SMILES for (3-ethylsulfonylthiomorpholin-4-yl)-[(2R)-pyrrolidin-2-yl]methanone is CCS(=O)(=O)C1CSCCN1C(=O)[C@H]1CCCN1.
What is the InChIKey of (3-ethylsulfonylthiomorpholin-4-yl)-[(2R)-pyrrolidin-2-yl]methanone?
The InChIKey is SYZOTXIDETVCGX-YHMJZVADSA-N. The full InChI is InChI=1S/C11H20N2O3S2/c1-2-18(15,16)10-8-17-7-6-13(10)11(14)9-4-3-5-12-9/h9-10,12H,2-8H2,1H3/t9-,10?/m1/s1.
What are the key properties of (3-ethylsulfonylthiomorpholin-4-yl)-[(2R)-pyrrolidin-2-yl]methanone?
(3-ethylsulfonylthiomorpholin-4-yl)-[(2R)-pyrrolidin-2-yl]methanone has a molecular weight of 292.43 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylsulfonylthiomorpholin-4-yl)-[(2R)-pyrrolidin-2-yl]methanone is sourced from PubChem (CID 104901244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).