4-ethylsulfonyl-1-thiomorpholin-3-ylbutan-2-one

C10H19NO3S2 — CID 106736604

IUPAC4-ethylsulfonyl-1-thiomorpholin-3-ylbutan-2-one
SMILESCCS(=O)(=O)CCC(=O)CC1CSCCN1
InChIInChI=1S/C10H19NO3S2/c1-2-16(13,14)6-3-10(12)7-9-8-15-5-4-11-9/h9,11H,2-8H2,1H3
InChIKeyBKQDZPOLESJASM-UHFFFAOYSA-N
MW265.40 g/mol
LogP0.48
Rot. Bonds6

About 4-ethylsulfonyl-1-thiomorpholin-3-ylbutan-2-one

4-ethylsulfonyl-1-thiomorpholin-3-ylbutan-2-one (PubChem CID 106736604) has the molecular formula C10H19NO3S2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-ethylsulfonyl-1-thiomorpholin-3-ylbutan-2-one.

Molecular Properties

Compound Name4-ethylsulfonyl-1-thiomorpholin-3-ylbutan-2-one
PubChem CID106736604
Molecular FormulaC10H19NO3S2
Molecular Weight265.40 g/mol
Exact Mass265.08
IUPAC Name4-ethylsulfonyl-1-thiomorpholin-3-ylbutan-2-one
SMILESCCS(=O)(=O)CCC(=O)CC1CSCCN1
InChIInChI=1S/C10H19NO3S2/c1-2-16(13,14)6-3-10(12)7-9-8-15-5-4-11-9/h9,11H,2-8H2,1H3
InChIKeyBKQDZPOLESJASM-UHFFFAOYSA-N
XLogP0.48
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-thiomorpholin-3-ylnonan-2-one
CID 116586482
6-methyl-1-thiomorpholin-3-ylheptan-2-one
CID 116586587
N-methyl-N-(1-methylsulfonylpropan-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939158
N-[2-(methanesulfonamido)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66421416
1-(5-ethylthiophen-2-yl)-3-thiomorpholin-3-ylpropan-2-one
CID 116586701
5-phenyl-1-thiomorpholin-3-ylpentan-2-one
CID 116586489
N-methyl-N-pentan-3-yl-2-thiomorpholin-3-ylacetamide
CID 66422213
N-(2,2-diethylbutyl)-2-thiomorpholin-3-ylacetamide
CID 119940576
N-(2,2-dimethylpropyl)-2-thiomorpholin-3-ylacetamide
CID 66422271
N,N-diethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide
CID 66420455
N-(1-hydroxybutan-2-yl)-2-thiomorpholin-3-ylacetamide
CID 66422411
N-(2-hydroxy-2-methylbutyl)-2-thiomorpholin-3-ylacetamide
CID 66421910

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-1-thiomorpholin-3-ylbutan-2-one?
The IUPAC name of 4-ethylsulfonyl-1-thiomorpholin-3-ylbutan-2-one (CID 106736604) is 4-ethylsulfonyl-1-thiomorpholin-3-ylbutan-2-one.
What is the SMILES notation for 4-ethylsulfonyl-1-thiomorpholin-3-ylbutan-2-one?
The canonical SMILES for 4-ethylsulfonyl-1-thiomorpholin-3-ylbutan-2-one is CCS(=O)(=O)CCC(=O)CC1CSCCN1.
What is the InChIKey of 4-ethylsulfonyl-1-thiomorpholin-3-ylbutan-2-one?
The InChIKey is BKQDZPOLESJASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S2/c1-2-16(13,14)6-3-10(12)7-9-8-15-5-4-11-9/h9,11H,2-8H2,1H3.
What are the key properties of 4-ethylsulfonyl-1-thiomorpholin-3-ylbutan-2-one?
4-ethylsulfonyl-1-thiomorpholin-3-ylbutan-2-one has a molecular weight of 265.40 g/mol, XLogP of 0.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-1-thiomorpholin-3-ylbutan-2-one is sourced from PubChem (CID 106736604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).