3-ethyl-4-(pyrrolidin-2-ylmethylsulfonyl)morpholine

C11H22N2O3S — CID 54972436

IUPAC3-ethyl-4-(pyrrolidin-2-ylmethylsulfonyl)morpholine
SMILESCCC1COCCN1S(=O)(=O)CC1CCCN1
InChIInChI=1S/C11H22N2O3S/c1-2-11-8-16-7-6-13(11)17(14,15)9-10-4-3-5-12-10/h10-12H,2-9H2,1H3
InChIKeyYVQYUUONEYXDKO-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.18
Rot. Bonds4

About 3-ethyl-4-(pyrrolidin-2-ylmethylsulfonyl)morpholine

3-ethyl-4-(pyrrolidin-2-ylmethylsulfonyl)morpholine (PubChem CID 54972436) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 3-ethyl-4-(pyrrolidin-2-ylmethylsulfonyl)morpholine.

Molecular Properties

Compound Name3-ethyl-4-(pyrrolidin-2-ylmethylsulfonyl)morpholine
PubChem CID54972436
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name3-ethyl-4-(pyrrolidin-2-ylmethylsulfonyl)morpholine
SMILESCCC1COCCN1S(=O)(=O)CC1CCCN1
InChIInChI=1S/C11H22N2O3S/c1-2-11-8-16-7-6-13(11)17(14,15)9-10-4-3-5-12-10/h10-12H,2-9H2,1H3
InChIKeyYVQYUUONEYXDKO-UHFFFAOYSA-N
XLogP0.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-4-(piperidin-4-ylmethylsulfonyl)morpholine
CID 54972435
3-ethyl-4-(2-piperidin-2-ylethyl)morpholine
CID 43613282
(3S)-4-(azepan-1-ylsulfonyl)-3-ethylmorpholine
CID 70727495
4-[(3-ethylmorpholin-4-yl)sulfonylmethyl]aniline
CID 43611643
3-ethyl-4-(3-piperidin-2-ylpropyl)morpholine
CID 55048173
3-ethylsulfonyl-4-(pyrrolidin-2-ylmethylsulfonyl)thiomorpholine
CID 66376027
4-(3-ethylmorpholin-4-yl)sulfonylbutanoic acid
CID 43612984
2,5-dimethyl-4-(piperidin-2-ylmethylsulfonyl)morpholine
CID 54973972
ethane;(2R)-2-ethylpyrrolidine;molecular hydrogen;hydrofluoride
CID 178147337
N-(2-morpholin-4-ylethyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 54973648
1-(piperidin-2-ylmethylsulfonyl)piperidine
CID 55151116
3-methyl-4-[[(2R)-pyrrolidin-2-yl]methyl]morpholine
CID 102819349

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(pyrrolidin-2-ylmethylsulfonyl)morpholine?
The IUPAC name of 3-ethyl-4-(pyrrolidin-2-ylmethylsulfonyl)morpholine (CID 54972436) is 3-ethyl-4-(pyrrolidin-2-ylmethylsulfonyl)morpholine.
What is the SMILES notation for 3-ethyl-4-(pyrrolidin-2-ylmethylsulfonyl)morpholine?
The canonical SMILES for 3-ethyl-4-(pyrrolidin-2-ylmethylsulfonyl)morpholine is CCC1COCCN1S(=O)(=O)CC1CCCN1.
What is the InChIKey of 3-ethyl-4-(pyrrolidin-2-ylmethylsulfonyl)morpholine?
The InChIKey is YVQYUUONEYXDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-2-11-8-16-7-6-13(11)17(14,15)9-10-4-3-5-12-10/h10-12H,2-9H2,1H3.
What are the key properties of 3-ethyl-4-(pyrrolidin-2-ylmethylsulfonyl)morpholine?
3-ethyl-4-(pyrrolidin-2-ylmethylsulfonyl)morpholine has a molecular weight of 262.37 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(pyrrolidin-2-ylmethylsulfonyl)morpholine is sourced from PubChem (CID 54972436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).