N-(2-ethylsulfonylethyl)-1-prop-2-ynylpiperidin-4-amine

C12H22N2O2S — CID 103780977

IUPACN-(2-ethylsulfonylethyl)-1-prop-2-ynylpiperidin-4-amine
SMILESC#CCN1CCC(NCCS(=O)(=O)CC)CC1
InChIInChI=1S/C12H22N2O2S/c1-3-8-14-9-5-12(6-10-14)13-7-11-17(15,16)4-2/h1,12-13H,4-11H2,2H3
InChIKeyGAEALVMFWOZSJU-UHFFFAOYSA-N
MW258.39 g/mol
LogP0.11
Rot. Bonds6

About N-(2-ethylsulfonylethyl)-1-prop-2-ynylpiperidin-4-amine

N-(2-ethylsulfonylethyl)-1-prop-2-ynylpiperidin-4-amine (PubChem CID 103780977) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is N-(2-ethylsulfonylethyl)-1-prop-2-ynylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2-ethylsulfonylethyl)-1-prop-2-ynylpiperidin-4-amine
PubChem CID103780977
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC NameN-(2-ethylsulfonylethyl)-1-prop-2-ynylpiperidin-4-amine
SMILESC#CCN1CCC(NCCS(=O)(=O)CC)CC1
InChIInChI=1S/C12H22N2O2S/c1-3-8-14-9-5-12(6-10-14)13-7-11-17(15,16)4-2/h1,12-13H,4-11H2,2H3
InChIKeyGAEALVMFWOZSJU-UHFFFAOYSA-N
XLogP0.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-N-(2-ethylsulfonylethyl)piperidin-4-amine
CID 115716494
N-(2-ethylsulfonylethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103780918
2-[(1-prop-2-ynylpiperidin-4-yl)amino]ethanol
CID 43774102
N-(3-ethoxypropyl)-1-prop-2-ynylpiperidin-4-amine
CID 43765302
N-[2-(4-methylpiperazin-1-yl)ethyl]-1-prop-2-ynylpiperidin-4-amine
CID 54860858
N-(3-methylsulfinylpropyl)-1-prop-2-ynylpiperidin-4-amine
CID 115721039
N-(3-methylsulfinylbutyl)-1-prop-2-ynylpiperidin-4-amine
CID 115894458
N-but-2-ynyl-1-prop-2-ynylpiperidin-4-amine
CID 115896868
2-[(1-prop-2-ynylpiperidin-4-yl)amino]acetic acid
CID 43774231
N-[2-(2-methylpropoxy)ethyl]-1-prop-2-ynylpiperidin-4-amine
CID 115713726
N-ethyl-1-(2-ethylsulfonylethyl)piperidin-4-amine
CID 60820479
N-(2-methylsulfonylethyl)-1-propylpiperidin-4-amine
CID 60920378

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylethyl)-1-prop-2-ynylpiperidin-4-amine?
The IUPAC name of N-(2-ethylsulfonylethyl)-1-prop-2-ynylpiperidin-4-amine (CID 103780977) is N-(2-ethylsulfonylethyl)-1-prop-2-ynylpiperidin-4-amine.
What is the SMILES notation for N-(2-ethylsulfonylethyl)-1-prop-2-ynylpiperidin-4-amine?
The canonical SMILES for N-(2-ethylsulfonylethyl)-1-prop-2-ynylpiperidin-4-amine is C#CCN1CCC(NCCS(=O)(=O)CC)CC1.
What is the InChIKey of N-(2-ethylsulfonylethyl)-1-prop-2-ynylpiperidin-4-amine?
The InChIKey is GAEALVMFWOZSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-3-8-14-9-5-12(6-10-14)13-7-11-17(15,16)4-2/h1,12-13H,4-11H2,2H3.
What are the key properties of N-(2-ethylsulfonylethyl)-1-prop-2-ynylpiperidin-4-amine?
N-(2-ethylsulfonylethyl)-1-prop-2-ynylpiperidin-4-amine has a molecular weight of 258.39 g/mol, XLogP of 0.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylethyl)-1-prop-2-ynylpiperidin-4-amine is sourced from PubChem (CID 103780977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).