2-hydroxyethyl 3-ethylsulfonylthiomorpholine-4-carboxylate

C9H17NO5S2 — CID 79348567

IUPAC2-hydroxyethyl 3-ethylsulfonylthiomorpholine-4-carboxylate
SMILESCCS(=O)(=O)C1CSCCN1C(=O)OCCO
InChIInChI=1S/C9H17NO5S2/c1-2-17(13,14)8-7-16-6-3-10(8)9(12)15-5-4-11/h8,11H,2-7H2,1H3
InChIKeyOSPPDOZZJRKKPE-UHFFFAOYSA-N
MW283.37 g/mol
LogP-0.08
Rot. Bonds4

About 2-hydroxyethyl 3-ethylsulfonylthiomorpholine-4-carboxylate

2-hydroxyethyl 3-ethylsulfonylthiomorpholine-4-carboxylate (PubChem CID 79348567) has the molecular formula C9H17NO5S2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-hydroxyethyl 3-ethylsulfonylthiomorpholine-4-carboxylate.

Molecular Properties

Compound Name2-hydroxyethyl 3-ethylsulfonylthiomorpholine-4-carboxylate
PubChem CID79348567
Molecular FormulaC9H17NO5S2
Molecular Weight283.37 g/mol
Exact Mass283.05
IUPAC Name2-hydroxyethyl 3-ethylsulfonylthiomorpholine-4-carboxylate
SMILESCCS(=O)(=O)C1CSCCN1C(=O)OCCO
InChIInChI=1S/C9H17NO5S2/c1-2-17(13,14)8-7-16-6-3-10(8)9(12)15-5-4-11/h8,11H,2-7H2,1H3
InChIKeyOSPPDOZZJRKKPE-UHFFFAOYSA-N
XLogP-0.08
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-1-(3-ethylsulfonylthiomorpholin-4-yl)butan-1-one
CID 66377754
3-amino-1-(3-ethylsulfonylthiomorpholin-4-yl)-2-methylpropan-1-one
CID 66378329
azepan-1-yl-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 116656575
4-(3-ethylsulfonylthiomorpholin-4-yl)-4-oxobut-2-enoic acid
CID 77135722
(4-aminooxolan-3-yl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 66376972
4-(3-ethylsulfonylthiomorpholin-4-yl)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 77135692
3-chloro-1-(3-ethylsulfonylthiomorpholin-4-yl)-2,2-dimethylpropan-1-one
CID 66376553
(3-ethylsulfonylthiomorpholin-4-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 104901244
1-(3-ethylsulfonylthiomorpholin-4-yl)-3-(propan-2-ylamino)propan-1-one
CID 66378127
2-(tert-butylamino)-1-(3-ethylsulfonylthiomorpholin-4-yl)ethanone
CID 79256888
5-amino-1-(3-ethylsulfonylthiomorpholin-4-yl)-2-methylpentan-1-one
CID 104685275
3-ethylsulfonyl-N-(2-methoxyethyl)thiomorpholine-4-carbothioamide
CID 116509286

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 3-ethylsulfonylthiomorpholine-4-carboxylate?
The IUPAC name of 2-hydroxyethyl 3-ethylsulfonylthiomorpholine-4-carboxylate (CID 79348567) is 2-hydroxyethyl 3-ethylsulfonylthiomorpholine-4-carboxylate.
What is the SMILES notation for 2-hydroxyethyl 3-ethylsulfonylthiomorpholine-4-carboxylate?
The canonical SMILES for 2-hydroxyethyl 3-ethylsulfonylthiomorpholine-4-carboxylate is CCS(=O)(=O)C1CSCCN1C(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl 3-ethylsulfonylthiomorpholine-4-carboxylate?
The InChIKey is OSPPDOZZJRKKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO5S2/c1-2-17(13,14)8-7-16-6-3-10(8)9(12)15-5-4-11/h8,11H,2-7H2,1H3.
What are the key properties of 2-hydroxyethyl 3-ethylsulfonylthiomorpholine-4-carboxylate?
2-hydroxyethyl 3-ethylsulfonylthiomorpholine-4-carboxylate has a molecular weight of 283.37 g/mol, XLogP of -0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 3-ethylsulfonylthiomorpholine-4-carboxylate is sourced from PubChem (CID 79348567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).