1-[1-(2-tert-butylsulfonylethyl)piperidin-3-yl]-N-ethylethanamine

C15H32N2O2S — CID 106721484

IUPAC1-[1-(2-tert-butylsulfonylethyl)piperidin-3-yl]-N-ethylethanamine
SMILESCCNC(C)C1CCCN(CCS(=O)(=O)C(C)(C)C)C1
InChIInChI=1S/C15H32N2O2S/c1-6-16-13(2)14-8-7-9-17(12-14)10-11-20(18,19)15(3,4)5/h13-14,16H,6-12H2,1-5H3
InChIKeyWDHQPLTVNBNFMY-UHFFFAOYSA-N
MW304.50 g/mol
LogP1.91
Rot. Bonds6

About 1-[1-(2-tert-butylsulfonylethyl)piperidin-3-yl]-N-ethylethanamine

1-[1-(2-tert-butylsulfonylethyl)piperidin-3-yl]-N-ethylethanamine (PubChem CID 106721484) has the molecular formula C15H32N2O2S and a molecular weight of 304.50 g/mol. Its IUPAC name is 1-[1-(2-tert-butylsulfonylethyl)piperidin-3-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[1-(2-tert-butylsulfonylethyl)piperidin-3-yl]-N-ethylethanamine
PubChem CID106721484
Molecular FormulaC15H32N2O2S
Molecular Weight304.50 g/mol
Exact Mass304.22
IUPAC Name1-[1-(2-tert-butylsulfonylethyl)piperidin-3-yl]-N-ethylethanamine
SMILESCCNC(C)C1CCCN(CCS(=O)(=O)C(C)(C)C)C1
InChIInChI=1S/C15H32N2O2S/c1-6-16-13(2)14-8-7-9-17(12-14)10-11-20(18,19)15(3,4)5/h13-14,16H,6-12H2,1-5H3
InChIKeyWDHQPLTVNBNFMY-UHFFFAOYSA-N
XLogP1.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-[1-(3,3,3-trifluoropropyl)piperidin-3-yl]ethanamine
CID 64552883
N-ethyl-1-(1-pentylpiperidin-3-yl)ethanamine
CID 63852706
1-[1-[2-(dimethylamino)ethyl]piperidin-3-yl]-N-ethylethanamine
CID 63854459
N-[2-methyl-1-[1-(1-propylpiperidin-3-yl)ethylamino]propan-2-yl]methanesulfonamide
CID 63859843
N-ethyl-1-[1-[2-(3-methylbutoxy)ethyl]piperidin-3-yl]ethanamine
CID 63854629
N-[[1-(2-tert-butylsulfonylethyl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 106725817
N-ethyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]ethanamine
CID 55257799
1-[1-(2,2-difluoroethyl)piperidin-3-yl]-N-ethylethanamine
CID 63855151
3-[[1-(1-propylpiperidin-3-yl)ethylamino]methyl]pentan-3-ol
CID 65105569
1-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-2-phenylpropan-2-ol
CID 63854628
2,2-dimethyl-3-[1-(1-propylpiperidin-3-yl)ethylamino]propan-1-ol
CID 113293730
N,2,2-trimethyl-3-[1-(1-propylpiperidin-3-yl)ethylamino]propanamide
CID 106275512

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-tert-butylsulfonylethyl)piperidin-3-yl]-N-ethylethanamine?
The IUPAC name of 1-[1-(2-tert-butylsulfonylethyl)piperidin-3-yl]-N-ethylethanamine (CID 106721484) is 1-[1-(2-tert-butylsulfonylethyl)piperidin-3-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[1-(2-tert-butylsulfonylethyl)piperidin-3-yl]-N-ethylethanamine?
The canonical SMILES for 1-[1-(2-tert-butylsulfonylethyl)piperidin-3-yl]-N-ethylethanamine is CCNC(C)C1CCCN(CCS(=O)(=O)C(C)(C)C)C1.
What is the InChIKey of 1-[1-(2-tert-butylsulfonylethyl)piperidin-3-yl]-N-ethylethanamine?
The InChIKey is WDHQPLTVNBNFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2S/c1-6-16-13(2)14-8-7-9-17(12-14)10-11-20(18,19)15(3,4)5/h13-14,16H,6-12H2,1-5H3.
What are the key properties of 1-[1-(2-tert-butylsulfonylethyl)piperidin-3-yl]-N-ethylethanamine?
1-[1-(2-tert-butylsulfonylethyl)piperidin-3-yl]-N-ethylethanamine has a molecular weight of 304.50 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-tert-butylsulfonylethyl)piperidin-3-yl]-N-ethylethanamine is sourced from PubChem (CID 106721484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).