3-ethylsulfonyl-4-(pyrrolidin-2-ylmethylsulfonyl)thiomorpholine

C11H22N2O4S3 — CID 66376027

IUPAC3-ethylsulfonyl-4-(pyrrolidin-2-ylmethylsulfonyl)thiomorpholine
SMILESCCS(=O)(=O)C1CSCCN1S(=O)(=O)CC1CCCN1
InChIInChI=1S/C11H22N2O4S3/c1-2-19(14,15)11-8-18-7-6-13(11)20(16,17)9-10-4-3-5-12-10/h10-12H,2-9H2,1H3
InChIKeyKSLREZLBGHNILL-UHFFFAOYSA-N
MW342.51 g/mol
LogP-0.12
Rot. Bonds5

About 3-ethylsulfonyl-4-(pyrrolidin-2-ylmethylsulfonyl)thiomorpholine

3-ethylsulfonyl-4-(pyrrolidin-2-ylmethylsulfonyl)thiomorpholine (PubChem CID 66376027) has the molecular formula C11H22N2O4S3 and a molecular weight of 342.51 g/mol. Its IUPAC name is 3-ethylsulfonyl-4-(pyrrolidin-2-ylmethylsulfonyl)thiomorpholine.

Molecular Properties

Compound Name3-ethylsulfonyl-4-(pyrrolidin-2-ylmethylsulfonyl)thiomorpholine
PubChem CID66376027
Molecular FormulaC11H22N2O4S3
Molecular Weight342.51 g/mol
Exact Mass342.07
IUPAC Name3-ethylsulfonyl-4-(pyrrolidin-2-ylmethylsulfonyl)thiomorpholine
SMILESCCS(=O)(=O)C1CSCCN1S(=O)(=O)CC1CCCN1
InChIInChI=1S/C11H22N2O4S3/c1-2-19(14,15)11-8-18-7-6-13(11)20(16,17)9-10-4-3-5-12-10/h10-12H,2-9H2,1H3
InChIKeyKSLREZLBGHNILL-UHFFFAOYSA-N
XLogP-0.12
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethylsulfonyl-4-(3-pyrrolidin-2-ylpropyl)thiomorpholine
CID 66382743
3-ethylsulfonyl-4-propylsulfonylthiomorpholine
CID 66376427
2-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylacetic acid
CID 66377519
(3-ethylsulfonylthiomorpholin-4-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 104901244
3-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylpropan-1-ol
CID 66376812
4-(4-chlorobutylsulfonyl)-3-ethylsulfonylthiomorpholine
CID 66376976
4-(3-chloro-2-methylpropyl)sulfonyl-3-ethylsulfonylthiomorpholine
CID 79588637
3-ethyl-4-(pyrrolidin-2-ylmethylsulfonyl)morpholine
CID 54972436
N-ethyl-3-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylpropan-1-amine
CID 66378170
ethane;2-ethylazetidine;2-ethylpyrrolidine;4-propan-2-ylthiomorpholine
CID 176927828
4-(2-bromoethyl)-3-ethylsulfonylthiomorpholine
CID 66375585
1-(piperidin-2-ylmethylsulfonyl)piperidine
CID 55151116

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfonyl-4-(pyrrolidin-2-ylmethylsulfonyl)thiomorpholine?
The IUPAC name of 3-ethylsulfonyl-4-(pyrrolidin-2-ylmethylsulfonyl)thiomorpholine (CID 66376027) is 3-ethylsulfonyl-4-(pyrrolidin-2-ylmethylsulfonyl)thiomorpholine.
What is the SMILES notation for 3-ethylsulfonyl-4-(pyrrolidin-2-ylmethylsulfonyl)thiomorpholine?
The canonical SMILES for 3-ethylsulfonyl-4-(pyrrolidin-2-ylmethylsulfonyl)thiomorpholine is CCS(=O)(=O)C1CSCCN1S(=O)(=O)CC1CCCN1.
What is the InChIKey of 3-ethylsulfonyl-4-(pyrrolidin-2-ylmethylsulfonyl)thiomorpholine?
The InChIKey is KSLREZLBGHNILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S3/c1-2-19(14,15)11-8-18-7-6-13(11)20(16,17)9-10-4-3-5-12-10/h10-12H,2-9H2,1H3.
What are the key properties of 3-ethylsulfonyl-4-(pyrrolidin-2-ylmethylsulfonyl)thiomorpholine?
3-ethylsulfonyl-4-(pyrrolidin-2-ylmethylsulfonyl)thiomorpholine has a molecular weight of 342.51 g/mol, XLogP of -0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfonyl-4-(pyrrolidin-2-ylmethylsulfonyl)thiomorpholine is sourced from PubChem (CID 66376027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).