1-ethylsulfonyl-N-(2-methylpentyl)piperidin-4-amine

C13H28N2O2S — CID 43208073

IUPAC1-ethylsulfonyl-N-(2-methylpentyl)piperidin-4-amine
SMILESCCCC(C)CNC1CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C13H28N2O2S/c1-4-6-12(3)11-14-13-7-9-15(10-8-13)18(16,17)5-2/h12-14H,4-11H2,1-3H3
InChIKeyDJSIHLJNPFHEPE-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.83
Rot. Bonds7

About 1-ethylsulfonyl-N-(2-methylpentyl)piperidin-4-amine

1-ethylsulfonyl-N-(2-methylpentyl)piperidin-4-amine (PubChem CID 43208073) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-(2-methylpentyl)piperidin-4-amine.

Molecular Properties

Compound Name1-ethylsulfonyl-N-(2-methylpentyl)piperidin-4-amine
PubChem CID43208073
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC Name1-ethylsulfonyl-N-(2-methylpentyl)piperidin-4-amine
SMILESCCCC(C)CNC1CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C13H28N2O2S/c1-4-6-12(3)11-14-13-7-9-15(10-8-13)18(16,17)5-2/h12-14H,4-11H2,1-3H3
InChIKeyDJSIHLJNPFHEPE-UHFFFAOYSA-N
XLogP1.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-(2-methylpentyl)piperidin-4-amine?
The IUPAC name of 1-ethylsulfonyl-N-(2-methylpentyl)piperidin-4-amine (CID 43208073) is 1-ethylsulfonyl-N-(2-methylpentyl)piperidin-4-amine.
What is the SMILES notation for 1-ethylsulfonyl-N-(2-methylpentyl)piperidin-4-amine?
The canonical SMILES for 1-ethylsulfonyl-N-(2-methylpentyl)piperidin-4-amine is CCCC(C)CNC1CCN(S(=O)(=O)CC)CC1.
What is the InChIKey of 1-ethylsulfonyl-N-(2-methylpentyl)piperidin-4-amine?
The InChIKey is DJSIHLJNPFHEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-4-6-12(3)11-14-13-7-9-15(10-8-13)18(16,17)5-2/h12-14H,4-11H2,1-3H3.
What are the key properties of 1-ethylsulfonyl-N-(2-methylpentyl)piperidin-4-amine?
1-ethylsulfonyl-N-(2-methylpentyl)piperidin-4-amine has a molecular weight of 276.45 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-(2-methylpentyl)piperidin-4-amine is sourced from PubChem (CID 43208073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).