N-(2-ethylsulfonylethyl)-1-(2-methylpropyl)piperidin-4-amine

C13H28N2O2S — CID 103780918

IUPACN-(2-ethylsulfonylethyl)-1-(2-methylpropyl)piperidin-4-amine
SMILESCCS(=O)(=O)CCNC1CCN(CC(C)C)CC1
InChIInChI=1S/C13H28N2O2S/c1-4-18(16,17)10-7-14-13-5-8-15(9-6-13)11-12(2)3/h12-14H,4-11H2,1-3H3
InChIKeyCOFIJQXXWWUTCI-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.13
Rot. Bonds7

About N-(2-ethylsulfonylethyl)-1-(2-methylpropyl)piperidin-4-amine

N-(2-ethylsulfonylethyl)-1-(2-methylpropyl)piperidin-4-amine (PubChem CID 103780918) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N-(2-ethylsulfonylethyl)-1-(2-methylpropyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(2-ethylsulfonylethyl)-1-(2-methylpropyl)piperidin-4-amine
PubChem CID103780918
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC NameN-(2-ethylsulfonylethyl)-1-(2-methylpropyl)piperidin-4-amine
SMILESCCS(=O)(=O)CCNC1CCN(CC(C)C)CC1
InChIInChI=1S/C13H28N2O2S/c1-4-18(16,17)10-7-14-13-5-8-15(9-6-13)11-12(2)3/h12-14H,4-11H2,1-3H3
InChIKeyCOFIJQXXWWUTCI-UHFFFAOYSA-N
XLogP1.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylpropyl)-N-(2-methylsulfonylethyl)piperidin-4-amine
CID 103779495
1-ethyl-N-(2-ethylsulfonylethyl)piperidin-4-amine
CID 115716494
N-(2-ethylsulfonylethyl)-1-prop-2-ynylpiperidin-4-amine
CID 103780977
N-[2-[[1-(2-methylpropyl)piperidin-4-yl]amino]ethyl]acetamide
CID 102673464
N-(2-ethoxyethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 115709922
N',N'-diethyl-N-[1-(2-methylpropyl)piperidin-4-yl]ethane-1,2-diamine
CID 103775624
N-[3-(4-methylpiperidin-1-yl)propyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103776314
N-(2,2-dimethylpropyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103640946
N-(2-cyclobutylethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103914513
N'-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-N'-propan-2-ylpropane-1,3-diamine
CID 103776874
N-methyl-3-[[1-(2-methylpropyl)piperidin-4-yl]amino]propanamide
CID 103779047
N-(2,2-dimethylpropyl)-1-(2-methylpropyl)piperidin-4-amine;hydrochloride
CID 115607087

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylethyl)-1-(2-methylpropyl)piperidin-4-amine?
The IUPAC name of N-(2-ethylsulfonylethyl)-1-(2-methylpropyl)piperidin-4-amine (CID 103780918) is N-(2-ethylsulfonylethyl)-1-(2-methylpropyl)piperidin-4-amine.
What is the SMILES notation for N-(2-ethylsulfonylethyl)-1-(2-methylpropyl)piperidin-4-amine?
The canonical SMILES for N-(2-ethylsulfonylethyl)-1-(2-methylpropyl)piperidin-4-amine is CCS(=O)(=O)CCNC1CCN(CC(C)C)CC1.
What is the InChIKey of N-(2-ethylsulfonylethyl)-1-(2-methylpropyl)piperidin-4-amine?
The InChIKey is COFIJQXXWWUTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-4-18(16,17)10-7-14-13-5-8-15(9-6-13)11-12(2)3/h12-14H,4-11H2,1-3H3.
What are the key properties of N-(2-ethylsulfonylethyl)-1-(2-methylpropyl)piperidin-4-amine?
N-(2-ethylsulfonylethyl)-1-(2-methylpropyl)piperidin-4-amine has a molecular weight of 276.45 g/mol, XLogP of 1.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylethyl)-1-(2-methylpropyl)piperidin-4-amine is sourced from PubChem (CID 103780918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).