3-amino-2-methoxy-1-(3-methylsulfonylthiomorpholin-4-yl)propan-1-one

C9H18N2O4S2 — CID 106113099

IUPAC3-amino-2-methoxy-1-(3-methylsulfonylthiomorpholin-4-yl)propan-1-one
SMILESCOC(CN)C(=O)N1CCSCC1S(C)(=O)=O
InChIInChI=1S/C9H18N2O4S2/c1-15-7(5-10)9(12)11-3-4-16-6-8(11)17(2,13)14/h7-8H,3-6,10H2,1-2H3
InChIKeyKWKFAEVLXCOFAX-UHFFFAOYSA-N
MW282.39 g/mol
LogP-1.09
Rot. Bonds4

About 3-amino-2-methoxy-1-(3-methylsulfonylthiomorpholin-4-yl)propan-1-one

3-amino-2-methoxy-1-(3-methylsulfonylthiomorpholin-4-yl)propan-1-one (PubChem CID 106113099) has the molecular formula C9H18N2O4S2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-amino-2-methoxy-1-(3-methylsulfonylthiomorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-2-methoxy-1-(3-methylsulfonylthiomorpholin-4-yl)propan-1-one
PubChem CID106113099
Molecular FormulaC9H18N2O4S2
Molecular Weight282.39 g/mol
Exact Mass282.07
IUPAC Name3-amino-2-methoxy-1-(3-methylsulfonylthiomorpholin-4-yl)propan-1-one
SMILESCOC(CN)C(=O)N1CCSCC1S(C)(=O)=O
InChIInChI=1S/C9H18N2O4S2/c1-15-7(5-10)9(12)11-3-4-16-6-8(11)17(2,13)14/h7-8H,3-6,10H2,1-2H3
InChIKeyKWKFAEVLXCOFAX-UHFFFAOYSA-N
XLogP-1.09
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)butan-1-one
CID 80544886
1-(3-methylsulfonylthiomorpholin-4-yl)-2-sulfanylpropan-1-one
CID 107031839
5-amino-4-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-one
CID 82688884
(3S)-3-(aminomethyl)-5-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)hexan-1-one
CID 66384023
4-(3-methylsulfonylthiomorpholin-4-yl)-4-oxobutanoic acid
CID 66384140
1-(3-methylsulfonylthiomorpholin-4-yl)-2-sulfanylethanone
CID 66382518
2-(2-aminoethoxy)-1-(3-methylsulfonylthiomorpholin-4-yl)ethanone
CID 79478289
3-chloro-1-(3-methylsulfonylthiomorpholin-4-yl)propan-1-one
CID 66384162
3-amino-1-(3-ethylsulfonylthiomorpholin-4-yl)-2-methylpropan-1-one
CID 66378329
4-chloro-1-(3-methylsulfonylthiomorpholin-4-yl)butan-1-one
CID 66383779
3-(3-methylsulfonylthiomorpholin-4-yl)-3-oxopropanethioamide
CID 66384218
N-methyl-3-methylsulfonylthiomorpholine-4-carboxamide
CID 116656564

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methoxy-1-(3-methylsulfonylthiomorpholin-4-yl)propan-1-one?
The IUPAC name of 3-amino-2-methoxy-1-(3-methylsulfonylthiomorpholin-4-yl)propan-1-one (CID 106113099) is 3-amino-2-methoxy-1-(3-methylsulfonylthiomorpholin-4-yl)propan-1-one.
What is the SMILES notation for 3-amino-2-methoxy-1-(3-methylsulfonylthiomorpholin-4-yl)propan-1-one?
The canonical SMILES for 3-amino-2-methoxy-1-(3-methylsulfonylthiomorpholin-4-yl)propan-1-one is COC(CN)C(=O)N1CCSCC1S(C)(=O)=O.
What is the InChIKey of 3-amino-2-methoxy-1-(3-methylsulfonylthiomorpholin-4-yl)propan-1-one?
The InChIKey is KWKFAEVLXCOFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S2/c1-15-7(5-10)9(12)11-3-4-16-6-8(11)17(2,13)14/h7-8H,3-6,10H2,1-2H3.
What are the key properties of 3-amino-2-methoxy-1-(3-methylsulfonylthiomorpholin-4-yl)propan-1-one?
3-amino-2-methoxy-1-(3-methylsulfonylthiomorpholin-4-yl)propan-1-one has a molecular weight of 282.39 g/mol, XLogP of -1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methoxy-1-(3-methylsulfonylthiomorpholin-4-yl)propan-1-one is sourced from PubChem (CID 106113099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).