3-amino-1-(3-ethylsulfonylthiomorpholin-4-yl)-2-methylpropan-1-one

C10H20N2O3S2 — CID 66378329

IUPAC3-amino-1-(3-ethylsulfonylthiomorpholin-4-yl)-2-methylpropan-1-one
SMILESCCS(=O)(=O)C1CSCCN1C(=O)C(C)CN
InChIInChI=1S/C10H20N2O3S2/c1-3-17(14,15)9-7-16-5-4-12(9)10(13)8(2)6-11/h8-9H,3-7,11H2,1-2H3
InChIKeyKQXRKLKXCIDLRI-UHFFFAOYSA-N
MW280.41 g/mol
LogP-0.08
Rot. Bonds4

About 3-amino-1-(3-ethylsulfonylthiomorpholin-4-yl)-2-methylpropan-1-one

3-amino-1-(3-ethylsulfonylthiomorpholin-4-yl)-2-methylpropan-1-one (PubChem CID 66378329) has the molecular formula C10H20N2O3S2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 3-amino-1-(3-ethylsulfonylthiomorpholin-4-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-(3-ethylsulfonylthiomorpholin-4-yl)-2-methylpropan-1-one
PubChem CID66378329
Molecular FormulaC10H20N2O3S2
Molecular Weight280.41 g/mol
Exact Mass280.09
IUPAC Name3-amino-1-(3-ethylsulfonylthiomorpholin-4-yl)-2-methylpropan-1-one
SMILESCCS(=O)(=O)C1CSCCN1C(=O)C(C)CN
InChIInChI=1S/C10H20N2O3S2/c1-3-17(14,15)9-7-16-5-4-12(9)10(13)8(2)6-11/h8-9H,3-7,11H2,1-2H3
InChIKeyKQXRKLKXCIDLRI-UHFFFAOYSA-N
XLogP-0.08
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-1-(3-ethylsulfonylthiomorpholin-4-yl)-2-methylpentan-1-one
CID 104685275
(2S)-2-amino-1-(3-ethylsulfonylthiomorpholin-4-yl)-3-methylpentan-1-one
CID 66377946
3-amino-1-(3-ethylsulfonylthiomorpholin-4-yl)butan-1-one
CID 66377754
4-amino-2-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)butan-1-one
CID 80544886
2-(3-ethylsulfonylthiomorpholine-4-carbonyl)-N'-hydroxypentanimidamide
CID 77135708
2-hydroxyethyl 3-ethylsulfonylthiomorpholine-4-carboxylate
CID 79348567
3-ethylsulfonyl-N-propan-2-ylthiomorpholine-4-carbothioamide
CID 116509287
1-(3-ethylsulfonylthiomorpholin-4-yl)-3-(propan-2-ylamino)propan-1-one
CID 66378127
4-(3-ethylsulfonylthiomorpholin-4-yl)-4-oxobut-2-enoic acid
CID 77135722
azepan-1-yl-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 116656575
4-[(3-ethylsulfonylthiomorpholine-4-carbonyl)-methylamino]butanoic acid
CID 66377194
(2S)-2-[(3-ethylsulfonylthiomorpholine-4-carbonyl)amino]-3-methylbutanoic acid
CID 66376225

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-ethylsulfonylthiomorpholin-4-yl)-2-methylpropan-1-one?
The IUPAC name of 3-amino-1-(3-ethylsulfonylthiomorpholin-4-yl)-2-methylpropan-1-one (CID 66378329) is 3-amino-1-(3-ethylsulfonylthiomorpholin-4-yl)-2-methylpropan-1-one.
What is the SMILES notation for 3-amino-1-(3-ethylsulfonylthiomorpholin-4-yl)-2-methylpropan-1-one?
The canonical SMILES for 3-amino-1-(3-ethylsulfonylthiomorpholin-4-yl)-2-methylpropan-1-one is CCS(=O)(=O)C1CSCCN1C(=O)C(C)CN.
What is the InChIKey of 3-amino-1-(3-ethylsulfonylthiomorpholin-4-yl)-2-methylpropan-1-one?
The InChIKey is KQXRKLKXCIDLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S2/c1-3-17(14,15)9-7-16-5-4-12(9)10(13)8(2)6-11/h8-9H,3-7,11H2,1-2H3.
What are the key properties of 3-amino-1-(3-ethylsulfonylthiomorpholin-4-yl)-2-methylpropan-1-one?
3-amino-1-(3-ethylsulfonylthiomorpholin-4-yl)-2-methylpropan-1-one has a molecular weight of 280.41 g/mol, XLogP of -0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-ethylsulfonylthiomorpholin-4-yl)-2-methylpropan-1-one is sourced from PubChem (CID 66378329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).