3-(3-ethylsulfonylthiomorpholin-4-yl)propanamide

C9H18N2O3S2 — CID 66377719

IUPAC3-(3-ethylsulfonylthiomorpholin-4-yl)propanamide
SMILESCCS(=O)(=O)C1CSCCN1CCC(N)=O
InChIInChI=1S/C9H18N2O3S2/c1-2-16(13,14)9-7-15-6-5-11(9)4-3-8(10)12/h9H,2-7H2,1H3,(H2,10,12)
InChIKeyLSALFUXEUPUTIL-UHFFFAOYSA-N
MW266.39 g/mol
LogP-0.33
Rot. Bonds5

About 3-(3-ethylsulfonylthiomorpholin-4-yl)propanamide

3-(3-ethylsulfonylthiomorpholin-4-yl)propanamide (PubChem CID 66377719) has the molecular formula C9H18N2O3S2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 3-(3-ethylsulfonylthiomorpholin-4-yl)propanamide.

Molecular Properties

Compound Name3-(3-ethylsulfonylthiomorpholin-4-yl)propanamide
PubChem CID66377719
Molecular FormulaC9H18N2O3S2
Molecular Weight266.39 g/mol
Exact Mass266.08
IUPAC Name3-(3-ethylsulfonylthiomorpholin-4-yl)propanamide
SMILESCCS(=O)(=O)C1CSCCN1CCC(N)=O
InChIInChI=1S/C9H18N2O3S2/c1-2-16(13,14)9-7-15-6-5-11(9)4-3-8(10)12/h9H,2-7H2,1H3,(H2,10,12)
InChIKeyLSALFUXEUPUTIL-UHFFFAOYSA-N
XLogP-0.33
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-bromoethyl)-3-ethylsulfonylthiomorpholine
CID 66375585
4-(2-chloroethyl)-3-ethylsulfonylthiomorpholine
CID 66378487
4-(4-chlorobutyl)-3-ethylsulfonylthiomorpholine
CID 66378289
4-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylbutan-1-amine
CID 66377349
3-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylpropan-1-amine
CID 66377525
6-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylhexan-1-amine
CID 66375798
1-(3-ethylsulfonylthiomorpholin-4-yl)-4,4-dimethylpentan-3-ol
CID 66375790
4-(3-ethylsulfonylthiomorpholin-4-yl)-2,3,3-trimethylbutan-2-amine
CID 66376796
N-[3-(3-ethylsulfonylthiomorpholin-4-yl)propyl]cyclohexanamine
CID 66377931
6-(3-ethylsulfonylthiomorpholin-4-yl)-N-propan-2-ylhexan-1-amine
CID 66378310
(2R)-1-(3-ethylsulfonylthiomorpholin-4-yl)-3-methylbutan-2-amine
CID 112736892
N-[3-(3-ethylsulfonylthiomorpholin-4-yl)propyl]-2-methylpropan-1-amine
CID 66375791

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylsulfonylthiomorpholin-4-yl)propanamide?
The IUPAC name of 3-(3-ethylsulfonylthiomorpholin-4-yl)propanamide (CID 66377719) is 3-(3-ethylsulfonylthiomorpholin-4-yl)propanamide.
What is the SMILES notation for 3-(3-ethylsulfonylthiomorpholin-4-yl)propanamide?
The canonical SMILES for 3-(3-ethylsulfonylthiomorpholin-4-yl)propanamide is CCS(=O)(=O)C1CSCCN1CCC(N)=O.
What is the InChIKey of 3-(3-ethylsulfonylthiomorpholin-4-yl)propanamide?
The InChIKey is LSALFUXEUPUTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S2/c1-2-16(13,14)9-7-15-6-5-11(9)4-3-8(10)12/h9H,2-7H2,1H3,(H2,10,12).
What are the key properties of 3-(3-ethylsulfonylthiomorpholin-4-yl)propanamide?
3-(3-ethylsulfonylthiomorpholin-4-yl)propanamide has a molecular weight of 266.39 g/mol, XLogP of -0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylsulfonylthiomorpholin-4-yl)propanamide is sourced from PubChem (CID 66377719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).