4-amino-1-ethylsulfonylpentan-3-one

C7H15NO3S — CID 106736154

IUPAC4-amino-1-ethylsulfonylpentan-3-one
SMILESCCS(=O)(=O)CCC(=O)C(C)N
InChIInChI=1S/C7H15NO3S/c1-3-12(10,11)5-4-7(9)6(2)8/h6H,3-5,8H2,1-2H3
InChIKeyRAQJUVQWLISUFO-UHFFFAOYSA-N
MW193.27 g/mol
LogP-0.27
Rot. Bonds5

About 4-amino-1-ethylsulfonylpentan-3-one

4-amino-1-ethylsulfonylpentan-3-one (PubChem CID 106736154) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 4-amino-1-ethylsulfonylpentan-3-one.

Molecular Properties

Compound Name4-amino-1-ethylsulfonylpentan-3-one
PubChem CID106736154
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name4-amino-1-ethylsulfonylpentan-3-one
SMILESCCS(=O)(=O)CCC(=O)C(C)N
InChIInChI=1S/C7H15NO3S/c1-3-12(10,11)5-4-7(9)6(2)8/h6H,3-5,8H2,1-2H3
InChIKeyRAQJUVQWLISUFO-UHFFFAOYSA-N
XLogP-0.27
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-1-ethylsulfonyl-4-methylhexan-3-one
CID 106736924
4-amino-1-ethylsulfonyl-5-methylheptan-3-one
CID 106736165
4-amino-1-ethylsulfonylhept-6-en-3-one
CID 106736857
(2S)-2-amino-7-methylsulfonylheptan-3-one
CID 160620113
2-aminopentan-3-one
CID 10986165
6-amino-1-ethylsulfonylheptan-4-one
CID 116555907
ethyl 5-amino-4-oxohexanoate
CID 76602913
7-ethylsulfonyl-2-methylheptan-3-one
CID 65098289
(6S)-6-amino-5-oxoheptanoic acid
CID 159323155
4-amino-1-propylsulfonylhept-6-yn-3-one
CID 106736855
1-ethylsulfonyl-6-(propan-2-ylamino)hexan-3-one
CID 106736244
1,3-diaminobutan-2-one
CID 18683672

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethylsulfonylpentan-3-one?
The IUPAC name of 4-amino-1-ethylsulfonylpentan-3-one (CID 106736154) is 4-amino-1-ethylsulfonylpentan-3-one.
What is the SMILES notation for 4-amino-1-ethylsulfonylpentan-3-one?
The canonical SMILES for 4-amino-1-ethylsulfonylpentan-3-one is CCS(=O)(=O)CCC(=O)C(C)N.
What is the InChIKey of 4-amino-1-ethylsulfonylpentan-3-one?
The InChIKey is RAQJUVQWLISUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-3-12(10,11)5-4-7(9)6(2)8/h6H,3-5,8H2,1-2H3.
What are the key properties of 4-amino-1-ethylsulfonylpentan-3-one?
4-amino-1-ethylsulfonylpentan-3-one has a molecular weight of 193.27 g/mol, XLogP of -0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethylsulfonylpentan-3-one is sourced from PubChem (CID 106736154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).