2-(tert-butylamino)-1-(3-ethylsulfonylthiomorpholin-4-yl)ethanone

C12H24N2O3S2 — CID 79256888

IUPAC2-(tert-butylamino)-1-(3-ethylsulfonylthiomorpholin-4-yl)ethanone
SMILESCCS(=O)(=O)C1CSCCN1C(=O)CNC(C)(C)C
InChIInChI=1S/C12H24N2O3S2/c1-5-19(16,17)11-9-18-7-6-14(11)10(15)8-13-12(2,3)4/h11,13H,5-9H2,1-4H3
InChIKeyDBYDCBKXGVILKW-UHFFFAOYSA-N
MW308.47 g/mol
LogP0.71
Rot. Bonds4

About 2-(tert-butylamino)-1-(3-ethylsulfonylthiomorpholin-4-yl)ethanone

2-(tert-butylamino)-1-(3-ethylsulfonylthiomorpholin-4-yl)ethanone (PubChem CID 79256888) has the molecular formula C12H24N2O3S2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-(3-ethylsulfonylthiomorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-(tert-butylamino)-1-(3-ethylsulfonylthiomorpholin-4-yl)ethanone
PubChem CID79256888
Molecular FormulaC12H24N2O3S2
Molecular Weight308.47 g/mol
Exact Mass308.12
IUPAC Name2-(tert-butylamino)-1-(3-ethylsulfonylthiomorpholin-4-yl)ethanone
SMILESCCS(=O)(=O)C1CSCCN1C(=O)CNC(C)(C)C
InChIInChI=1S/C12H24N2O3S2/c1-5-19(16,17)11-9-18-7-6-14(11)10(15)8-13-12(2,3)4/h11,13H,5-9H2,1-4H3
InChIKeyDBYDCBKXGVILKW-UHFFFAOYSA-N
XLogP0.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-(3-ethylsulfonylthiomorpholin-4-yl)ethanone?
The IUPAC name of 2-(tert-butylamino)-1-(3-ethylsulfonylthiomorpholin-4-yl)ethanone (CID 79256888) is 2-(tert-butylamino)-1-(3-ethylsulfonylthiomorpholin-4-yl)ethanone.
What is the SMILES notation for 2-(tert-butylamino)-1-(3-ethylsulfonylthiomorpholin-4-yl)ethanone?
The canonical SMILES for 2-(tert-butylamino)-1-(3-ethylsulfonylthiomorpholin-4-yl)ethanone is CCS(=O)(=O)C1CSCCN1C(=O)CNC(C)(C)C.
What is the InChIKey of 2-(tert-butylamino)-1-(3-ethylsulfonylthiomorpholin-4-yl)ethanone?
The InChIKey is DBYDCBKXGVILKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S2/c1-5-19(16,17)11-9-18-7-6-14(11)10(15)8-13-12(2,3)4/h11,13H,5-9H2,1-4H3.
What are the key properties of 2-(tert-butylamino)-1-(3-ethylsulfonylthiomorpholin-4-yl)ethanone?
2-(tert-butylamino)-1-(3-ethylsulfonylthiomorpholin-4-yl)ethanone has a molecular weight of 308.47 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1-(3-ethylsulfonylthiomorpholin-4-yl)ethanone is sourced from PubChem (CID 79256888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).