1-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]ethanamine

C17H28N2O2S — CID 119974952

IUPAC1-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C17H28N2O2S/c1-13(18)14-9-11-19(12-10-14)22(20,21)16-7-5-15(6-8-16)17(2,3)4/h5-8,13-14H,9-12,18H2,1-4H3
InChIKeyZOPRMMMPYGSFAR-UHFFFAOYSA-N
MW324.49 g/mol
LogP2.73
Rot. Bonds3

About 1-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]ethanamine

1-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]ethanamine (PubChem CID 119974952) has the molecular formula C17H28N2O2S and a molecular weight of 324.49 g/mol. Its IUPAC name is 1-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]ethanamine
PubChem CID119974952
Molecular FormulaC17H28N2O2S
Molecular Weight324.49 g/mol
Exact Mass324.19
IUPAC Name1-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C17H28N2O2S/c1-13(18)14-9-11-19(12-10-14)22(20,21)16-7-5-15(6-8-16)17(2,3)4/h5-8,13-14H,9-12,18H2,1-4H3
InChIKeyZOPRMMMPYGSFAR-UHFFFAOYSA-N
XLogP2.73
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylbenzamide
CID 63597099
1-[1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-4-yl]ethanamine
CID 119975031
1-[1-[4-(methylsulfonylmethyl)phenyl]sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119975061
N-[4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 119974725
2-[4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylphenyl]acetonitrile
CID 79203402
methyl 4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylbenzoate
CID 119974740
1-[1-[(2-tert-butyl-1,3-benzothiazol-6-yl)sulfonyl]piperidin-4-yl]ethanamine
CID 119974932
4-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 119975015
4-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline
CID 104600089
ethyl 4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylbenzoate;hydrochloride
CID 119974949
1-[1-(3-fluoro-4-methylsulfonylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119974631
1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]ethanamine
CID 119974869

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]ethanamine?
The IUPAC name of 1-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]ethanamine (CID 119974952) is 1-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]ethanamine.
What is the SMILES notation for 1-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]ethanamine?
The canonical SMILES for 1-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]ethanamine is CC(N)C1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 1-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]ethanamine?
The InChIKey is ZOPRMMMPYGSFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2S/c1-13(18)14-9-11-19(12-10-14)22(20,21)16-7-5-15(6-8-16)17(2,3)4/h5-8,13-14H,9-12,18H2,1-4H3.
What are the key properties of 1-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]ethanamine?
1-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]ethanamine has a molecular weight of 324.49 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]ethanamine is sourced from PubChem (CID 119974952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).