1-(ethylamino)-2-methyl-6-methylsulfonylhexan-3-one

C10H21NO3S — CID 116565200

IUPAC1-(ethylamino)-2-methyl-6-methylsulfonylhexan-3-one
SMILESCCNCC(C)C(=O)CCCS(C)(=O)=O
InChIInChI=1S/C10H21NO3S/c1-4-11-8-9(2)10(12)6-5-7-15(3,13)14/h9,11H,4-8H2,1-3H3
InChIKeyQXKRKAPSZPEXFX-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.63
Rot. Bonds8

About 1-(ethylamino)-2-methyl-6-methylsulfonylhexan-3-one

1-(ethylamino)-2-methyl-6-methylsulfonylhexan-3-one (PubChem CID 116565200) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-(ethylamino)-2-methyl-6-methylsulfonylhexan-3-one.

Molecular Properties

Compound Name1-(ethylamino)-2-methyl-6-methylsulfonylhexan-3-one
PubChem CID116565200
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name1-(ethylamino)-2-methyl-6-methylsulfonylhexan-3-one
SMILESCCNCC(C)C(=O)CCCS(C)(=O)=O
InChIInChI=1S/C10H21NO3S/c1-4-11-8-9(2)10(12)6-5-7-15(3,13)14/h9,11H,4-8H2,1-3H3
InChIKeyQXKRKAPSZPEXFX-UHFFFAOYSA-N
XLogP0.63
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(ethylamino)-7,7,7-trifluoro-2-methylheptan-3-one
CID 116565331
N-ethyl-2-methyl-5-methylsulfonylpentan-1-amine
CID 63195916
5-amino-6,6-dimethyl-1-methylsulfonylheptan-4-one
CID 116611382
5-hydroxy-1-methylsulfonyloctan-4-one
CID 103453733
N-ethyl-4-methyl-2-(3-methylsulfonylpropyl)pentan-1-amine
CID 63195970
3-(ethylamino)-2-methyl-N-propan-2-ylpropanamide
CID 62853402
(2S)-2-amino-7-methylsulfonylheptan-3-one
CID 160620113
1-(ethylamino)-2,5-dimethylhex-5-en-3-one
CID 116565362
3-(ethylamino)-N-[3-(methanesulfonamido)propyl]-2-methylpropanamide
CID 106336507
3-(ethylamino)-2-methylpropanamide
CID 43311981
6-methyl-1-methylsulfonylheptan-4-one
CID 63192162
N-ethyl-4-methyl-7-methylsulfonylhept-3-en-1-amine
CID 79598076

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-2-methyl-6-methylsulfonylhexan-3-one?
The IUPAC name of 1-(ethylamino)-2-methyl-6-methylsulfonylhexan-3-one (CID 116565200) is 1-(ethylamino)-2-methyl-6-methylsulfonylhexan-3-one.
What is the SMILES notation for 1-(ethylamino)-2-methyl-6-methylsulfonylhexan-3-one?
The canonical SMILES for 1-(ethylamino)-2-methyl-6-methylsulfonylhexan-3-one is CCNCC(C)C(=O)CCCS(C)(=O)=O.
What is the InChIKey of 1-(ethylamino)-2-methyl-6-methylsulfonylhexan-3-one?
The InChIKey is QXKRKAPSZPEXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-4-11-8-9(2)10(12)6-5-7-15(3,13)14/h9,11H,4-8H2,1-3H3.
What are the key properties of 1-(ethylamino)-2-methyl-6-methylsulfonylhexan-3-one?
1-(ethylamino)-2-methyl-6-methylsulfonylhexan-3-one has a molecular weight of 235.35 g/mol, XLogP of 0.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-2-methyl-6-methylsulfonylhexan-3-one is sourced from PubChem (CID 116565200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).