5-ethylsulfonyl-3-(methylamino)pentan-2-one

C8H17NO3S — CID 130440230

IUPAC5-ethylsulfonyl-3-(methylamino)pentan-2-one
SMILESCCS(=O)(=O)CCC(NC)C(C)=O
InChIInChI=1S/C8H17NO3S/c1-4-13(11,12)6-5-8(9-3)7(2)10/h8-9H,4-6H2,1-3H3
InChIKeyWJGJODICKBZWPP-UHFFFAOYSA-N
MW207.29 g/mol
LogP-0.01
Rot. Bonds6

About 5-ethylsulfonyl-3-(methylamino)pentan-2-one

5-ethylsulfonyl-3-(methylamino)pentan-2-one (PubChem CID 130440230) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 5-ethylsulfonyl-3-(methylamino)pentan-2-one.

Molecular Properties

Compound Name5-ethylsulfonyl-3-(methylamino)pentan-2-one
PubChem CID130440230
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name5-ethylsulfonyl-3-(methylamino)pentan-2-one
SMILESCCS(=O)(=O)CCC(NC)C(C)=O
InChIInChI=1S/C8H17NO3S/c1-4-13(11,12)6-5-8(9-3)7(2)10/h8-9H,4-6H2,1-3H3
InChIKeyWJGJODICKBZWPP-UHFFFAOYSA-N
XLogP-0.01
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-3-(methylamino)pentan-2-one?
The IUPAC name of 5-ethylsulfonyl-3-(methylamino)pentan-2-one (CID 130440230) is 5-ethylsulfonyl-3-(methylamino)pentan-2-one.
What is the SMILES notation for 5-ethylsulfonyl-3-(methylamino)pentan-2-one?
The canonical SMILES for 5-ethylsulfonyl-3-(methylamino)pentan-2-one is CCS(=O)(=O)CCC(NC)C(C)=O.
What is the InChIKey of 5-ethylsulfonyl-3-(methylamino)pentan-2-one?
The InChIKey is WJGJODICKBZWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-4-13(11,12)6-5-8(9-3)7(2)10/h8-9H,4-6H2,1-3H3.
What are the key properties of 5-ethylsulfonyl-3-(methylamino)pentan-2-one?
5-ethylsulfonyl-3-(methylamino)pentan-2-one has a molecular weight of 207.29 g/mol, XLogP of -0.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-3-(methylamino)pentan-2-one is sourced from PubChem (CID 130440230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).