6-amino-1-ethylsulfonylhexan-3-one

C8H17NO3S — CID 106736172

IUPAC6-amino-1-ethylsulfonylhexan-3-one
SMILESCCS(=O)(=O)CCC(=O)CCCN
InChIInChI=1S/C8H17NO3S/c1-2-13(11,12)7-5-8(10)4-3-6-9/h2-7,9H2,1H3
InChIKeyCKTSPXSSACJRGV-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.12
Rot. Bonds7

About 6-amino-1-ethylsulfonylhexan-3-one

6-amino-1-ethylsulfonylhexan-3-one (PubChem CID 106736172) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 6-amino-1-ethylsulfonylhexan-3-one.

Molecular Properties

Compound Name6-amino-1-ethylsulfonylhexan-3-one
PubChem CID106736172
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name6-amino-1-ethylsulfonylhexan-3-one
SMILESCCS(=O)(=O)CCC(=O)CCCN
InChIInChI=1S/C8H17NO3S/c1-2-13(11,12)7-5-8(10)4-3-6-9/h2-7,9H2,1H3
InChIKeyCKTSPXSSACJRGV-UHFFFAOYSA-N
XLogP0.12
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-ethylsulfonylhexan-3-one?
The IUPAC name of 6-amino-1-ethylsulfonylhexan-3-one (CID 106736172) is 6-amino-1-ethylsulfonylhexan-3-one.
What is the SMILES notation for 6-amino-1-ethylsulfonylhexan-3-one?
The canonical SMILES for 6-amino-1-ethylsulfonylhexan-3-one is CCS(=O)(=O)CCC(=O)CCCN.
What is the InChIKey of 6-amino-1-ethylsulfonylhexan-3-one?
The InChIKey is CKTSPXSSACJRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-2-13(11,12)7-5-8(10)4-3-6-9/h2-7,9H2,1H3.
What are the key properties of 6-amino-1-ethylsulfonylhexan-3-one?
6-amino-1-ethylsulfonylhexan-3-one has a molecular weight of 207.29 g/mol, XLogP of 0.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-ethylsulfonylhexan-3-one is sourced from PubChem (CID 106736172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).