4-(ethylamino)-6-methylsulfonylhexan-3-one

C9H19NO3S — CID 89317478

IUPAC4-(ethylamino)-6-methylsulfonylhexan-3-one
SMILESCCNC(CCS(C)(=O)=O)C(=O)CC
InChIInChI=1S/C9H19NO3S/c1-4-9(11)8(10-5-2)6-7-14(3,12)13/h8,10H,4-7H2,1-3H3
InChIKeyFPLYLFDWZTVZTP-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.38
Rot. Bonds7

About 4-(ethylamino)-6-methylsulfonylhexan-3-one

4-(ethylamino)-6-methylsulfonylhexan-3-one (PubChem CID 89317478) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 4-(ethylamino)-6-methylsulfonylhexan-3-one.

Molecular Properties

Compound Name4-(ethylamino)-6-methylsulfonylhexan-3-one
PubChem CID89317478
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name4-(ethylamino)-6-methylsulfonylhexan-3-one
SMILESCCNC(CCS(C)(=O)=O)C(=O)CC
InChIInChI=1S/C9H19NO3S/c1-4-9(11)8(10-5-2)6-7-14(3,12)13/h8,10H,4-7H2,1-3H3
InChIKeyFPLYLFDWZTVZTP-UHFFFAOYSA-N
XLogP0.38
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-6-methylsulfonylhexan-3-one?
The IUPAC name of 4-(ethylamino)-6-methylsulfonylhexan-3-one (CID 89317478) is 4-(ethylamino)-6-methylsulfonylhexan-3-one.
What is the SMILES notation for 4-(ethylamino)-6-methylsulfonylhexan-3-one?
The canonical SMILES for 4-(ethylamino)-6-methylsulfonylhexan-3-one is CCNC(CCS(C)(=O)=O)C(=O)CC.
What is the InChIKey of 4-(ethylamino)-6-methylsulfonylhexan-3-one?
The InChIKey is FPLYLFDWZTVZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-4-9(11)8(10-5-2)6-7-14(3,12)13/h8,10H,4-7H2,1-3H3.
What are the key properties of 4-(ethylamino)-6-methylsulfonylhexan-3-one?
4-(ethylamino)-6-methylsulfonylhexan-3-one has a molecular weight of 221.32 g/mol, XLogP of 0.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-6-methylsulfonylhexan-3-one is sourced from PubChem (CID 89317478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).