1-amino-6-ethylsulfonyl-2-methyl-1-phenylhexan-3-one

C15H23NO3S — CID 116598969

IUPAC1-amino-6-ethylsulfonyl-2-methyl-1-phenylhexan-3-one
SMILESCCS(=O)(=O)CCCC(=O)C(C)C(N)c1ccccc1
InChIInChI=1S/C15H23NO3S/c1-3-20(18,19)11-7-10-14(17)12(2)15(16)13-8-5-4-6-9-13/h4-6,8-9,12,15H,3,7,10-11,16H2,1-2H3
InChIKeyFQZJNRXGYMDEQS-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.11
Rot. Bonds8

About 1-amino-6-ethylsulfonyl-2-methyl-1-phenylhexan-3-one

1-amino-6-ethylsulfonyl-2-methyl-1-phenylhexan-3-one (PubChem CID 116598969) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-amino-6-ethylsulfonyl-2-methyl-1-phenylhexan-3-one.

Molecular Properties

Compound Name1-amino-6-ethylsulfonyl-2-methyl-1-phenylhexan-3-one
PubChem CID116598969
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name1-amino-6-ethylsulfonyl-2-methyl-1-phenylhexan-3-one
SMILESCCS(=O)(=O)CCCC(=O)C(C)C(N)c1ccccc1
InChIInChI=1S/C15H23NO3S/c1-3-20(18,19)11-7-10-14(17)12(2)15(16)13-8-5-4-6-9-13/h4-6,8-9,12,15H,3,7,10-11,16H2,1-2H3
InChIKeyFQZJNRXGYMDEQS-UHFFFAOYSA-N
XLogP2.11
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-6-ethylsulfonyl-2-methyl-1-phenylhexan-3-one?
The IUPAC name of 1-amino-6-ethylsulfonyl-2-methyl-1-phenylhexan-3-one (CID 116598969) is 1-amino-6-ethylsulfonyl-2-methyl-1-phenylhexan-3-one.
What is the SMILES notation for 1-amino-6-ethylsulfonyl-2-methyl-1-phenylhexan-3-one?
The canonical SMILES for 1-amino-6-ethylsulfonyl-2-methyl-1-phenylhexan-3-one is CCS(=O)(=O)CCCC(=O)C(C)C(N)c1ccccc1.
What is the InChIKey of 1-amino-6-ethylsulfonyl-2-methyl-1-phenylhexan-3-one?
The InChIKey is FQZJNRXGYMDEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-3-20(18,19)11-7-10-14(17)12(2)15(16)13-8-5-4-6-9-13/h4-6,8-9,12,15H,3,7,10-11,16H2,1-2H3.
What are the key properties of 1-amino-6-ethylsulfonyl-2-methyl-1-phenylhexan-3-one?
1-amino-6-ethylsulfonyl-2-methyl-1-phenylhexan-3-one has a molecular weight of 297.42 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-6-ethylsulfonyl-2-methyl-1-phenylhexan-3-one is sourced from PubChem (CID 116598969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).