2-(2-ethylsulfonylethyl)-2-methylpentan-1-amine

C10H23NO2S — CID 62726102

IUPAC2-(2-ethylsulfonylethyl)-2-methylpentan-1-amine
SMILESCCCC(C)(CN)CCS(=O)(=O)CC
InChIInChI=1S/C10H23NO2S/c1-4-6-10(3,9-11)7-8-14(12,13)5-2/h4-9,11H2,1-3H3
InChIKeyJFERAVSIHZQNBG-UHFFFAOYSA-N
MW221.37 g/mol
LogP1.58
Rot. Bonds7

About 2-(2-ethylsulfonylethyl)-2-methylpentan-1-amine

2-(2-ethylsulfonylethyl)-2-methylpentan-1-amine (PubChem CID 62726102) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is 2-(2-ethylsulfonylethyl)-2-methylpentan-1-amine.

Molecular Properties

Compound Name2-(2-ethylsulfonylethyl)-2-methylpentan-1-amine
PubChem CID62726102
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC Name2-(2-ethylsulfonylethyl)-2-methylpentan-1-amine
SMILESCCCC(C)(CN)CCS(=O)(=O)CC
InChIInChI=1S/C10H23NO2S/c1-4-6-10(3,9-11)7-8-14(12,13)5-2/h4-9,11H2,1-3H3
InChIKeyJFERAVSIHZQNBG-UHFFFAOYSA-N
XLogP1.58
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfonylethyl)-2-methylpentan-1-amine?
The IUPAC name of 2-(2-ethylsulfonylethyl)-2-methylpentan-1-amine (CID 62726102) is 2-(2-ethylsulfonylethyl)-2-methylpentan-1-amine.
What is the SMILES notation for 2-(2-ethylsulfonylethyl)-2-methylpentan-1-amine?
The canonical SMILES for 2-(2-ethylsulfonylethyl)-2-methylpentan-1-amine is CCCC(C)(CN)CCS(=O)(=O)CC.
What is the InChIKey of 2-(2-ethylsulfonylethyl)-2-methylpentan-1-amine?
The InChIKey is JFERAVSIHZQNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-4-6-10(3,9-11)7-8-14(12,13)5-2/h4-9,11H2,1-3H3.
What are the key properties of 2-(2-ethylsulfonylethyl)-2-methylpentan-1-amine?
2-(2-ethylsulfonylethyl)-2-methylpentan-1-amine has a molecular weight of 221.37 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfonylethyl)-2-methylpentan-1-amine is sourced from PubChem (CID 62726102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).