3-ethylsulfonyl-4-propylsulfonylthiomorpholine

C9H19NO4S3 — CID 66376427

IUPAC3-ethylsulfonyl-4-propylsulfonylthiomorpholine
SMILESCCCS(=O)(=O)N1CCSCC1S(=O)(=O)CC
InChIInChI=1S/C9H19NO4S3/c1-3-7-17(13,14)10-5-6-15-8-9(10)16(11,12)4-2/h9H,3-8H2,1-2H3
InChIKeyBANAFFMNIPLFMZ-UHFFFAOYSA-N
MW301.46 g/mol
LogP0.54
Rot. Bonds5

About 3-ethylsulfonyl-4-propylsulfonylthiomorpholine

3-ethylsulfonyl-4-propylsulfonylthiomorpholine (PubChem CID 66376427) has the molecular formula C9H19NO4S3 and a molecular weight of 301.46 g/mol. Its IUPAC name is 3-ethylsulfonyl-4-propylsulfonylthiomorpholine.

Molecular Properties

Compound Name3-ethylsulfonyl-4-propylsulfonylthiomorpholine
PubChem CID66376427
Molecular FormulaC9H19NO4S3
Molecular Weight301.46 g/mol
Exact Mass301.05
IUPAC Name3-ethylsulfonyl-4-propylsulfonylthiomorpholine
SMILESCCCS(=O)(=O)N1CCSCC1S(=O)(=O)CC
InChIInChI=1S/C9H19NO4S3/c1-3-7-17(13,14)10-5-6-15-8-9(10)16(11,12)4-2/h9H,3-8H2,1-2H3
InChIKeyBANAFFMNIPLFMZ-UHFFFAOYSA-N
XLogP0.54
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylpropan-1-ol
CID 66376812
4-(4-chlorobutylsulfonyl)-3-ethylsulfonylthiomorpholine
CID 66376976
N-ethyl-3-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylpropan-1-amine
CID 66378170
2-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylacetic acid
CID 66377519
4-(3-chloro-2-methylpropyl)sulfonyl-3-ethylsulfonylthiomorpholine
CID 79588637
3-ethylsulfonyl-4-(pyrrolidin-2-ylmethylsulfonyl)thiomorpholine
CID 66376027
4-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylphenol
CID 66376997
4-(2-chloroethyl)-3-ethylsulfonylthiomorpholine
CID 66378487
4-(2-bromoethyl)-3-ethylsulfonylthiomorpholine
CID 66375585
2-(3-ethylsulfonylthiomorpholin-4-yl)-2-propylpentan-1-amine
CID 66381952
5-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylpyridin-2-amine
CID 66383129
[4-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylthiophen-2-yl]methanol
CID 66377401

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfonyl-4-propylsulfonylthiomorpholine?
The IUPAC name of 3-ethylsulfonyl-4-propylsulfonylthiomorpholine (CID 66376427) is 3-ethylsulfonyl-4-propylsulfonylthiomorpholine.
What is the SMILES notation for 3-ethylsulfonyl-4-propylsulfonylthiomorpholine?
The canonical SMILES for 3-ethylsulfonyl-4-propylsulfonylthiomorpholine is CCCS(=O)(=O)N1CCSCC1S(=O)(=O)CC.
What is the InChIKey of 3-ethylsulfonyl-4-propylsulfonylthiomorpholine?
The InChIKey is BANAFFMNIPLFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4S3/c1-3-7-17(13,14)10-5-6-15-8-9(10)16(11,12)4-2/h9H,3-8H2,1-2H3.
What are the key properties of 3-ethylsulfonyl-4-propylsulfonylthiomorpholine?
3-ethylsulfonyl-4-propylsulfonylthiomorpholine has a molecular weight of 301.46 g/mol, XLogP of 0.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfonyl-4-propylsulfonylthiomorpholine is sourced from PubChem (CID 66376427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).