1-ethylsulfonyl-5,6-dimethylheptan-4-amine

C11H25NO2S — CID 104986203

IUPAC1-ethylsulfonyl-5,6-dimethylheptan-4-amine
SMILESCCS(=O)(=O)CCCC(N)C(C)C(C)C
InChIInChI=1S/C11H25NO2S/c1-5-15(13,14)8-6-7-11(12)10(4)9(2)3/h9-11H,5-8,12H2,1-4H3
InChIKeyYFZZQPFYIDMLIC-UHFFFAOYSA-N
MW235.39 g/mol
LogP1.82
Rot. Bonds7

About 1-ethylsulfonyl-5,6-dimethylheptan-4-amine

1-ethylsulfonyl-5,6-dimethylheptan-4-amine (PubChem CID 104986203) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is 1-ethylsulfonyl-5,6-dimethylheptan-4-amine.

Molecular Properties

Compound Name1-ethylsulfonyl-5,6-dimethylheptan-4-amine
PubChem CID104986203
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC Name1-ethylsulfonyl-5,6-dimethylheptan-4-amine
SMILESCCS(=O)(=O)CCCC(N)C(C)C(C)C
InChIInChI=1S/C11H25NO2S/c1-5-15(13,14)8-6-7-11(12)10(4)9(2)3/h9-11H,5-8,12H2,1-4H3
InChIKeyYFZZQPFYIDMLIC-UHFFFAOYSA-N
XLogP1.82
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-5,6-dimethylheptan-4-amine?
The IUPAC name of 1-ethylsulfonyl-5,6-dimethylheptan-4-amine (CID 104986203) is 1-ethylsulfonyl-5,6-dimethylheptan-4-amine.
What is the SMILES notation for 1-ethylsulfonyl-5,6-dimethylheptan-4-amine?
The canonical SMILES for 1-ethylsulfonyl-5,6-dimethylheptan-4-amine is CCS(=O)(=O)CCCC(N)C(C)C(C)C.
What is the InChIKey of 1-ethylsulfonyl-5,6-dimethylheptan-4-amine?
The InChIKey is YFZZQPFYIDMLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-5-15(13,14)8-6-7-11(12)10(4)9(2)3/h9-11H,5-8,12H2,1-4H3.
What are the key properties of 1-ethylsulfonyl-5,6-dimethylheptan-4-amine?
1-ethylsulfonyl-5,6-dimethylheptan-4-amine has a molecular weight of 235.39 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-5,6-dimethylheptan-4-amine is sourced from PubChem (CID 104986203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).