1-[1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-4-yl]ethanamine

C17H28N2O2S — CID 119975031

IUPAC1-[1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-4-yl]ethanamine
SMILESCC(C)Cc1ccc(S(=O)(=O)N2CCC(C(C)N)CC2)cc1
InChIInChI=1S/C17H28N2O2S/c1-13(2)12-15-4-6-17(7-5-15)22(20,21)19-10-8-16(9-11-19)14(3)18/h4-7,13-14,16H,8-12,18H2,1-3H3
InChIKeyBFYMYMINQXDSAN-UHFFFAOYSA-N
MW324.49 g/mol
LogP2.63
Rot. Bonds5

About 1-[1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-4-yl]ethanamine

1-[1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-4-yl]ethanamine (PubChem CID 119975031) has the molecular formula C17H28N2O2S and a molecular weight of 324.49 g/mol. Its IUPAC name is 1-[1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-4-yl]ethanamine
PubChem CID119975031
Molecular FormulaC17H28N2O2S
Molecular Weight324.49 g/mol
Exact Mass324.19
IUPAC Name1-[1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-4-yl]ethanamine
SMILESCC(C)Cc1ccc(S(=O)(=O)N2CCC(C(C)N)CC2)cc1
InChIInChI=1S/C17H28N2O2S/c1-13(2)12-15-4-6-17(7-5-15)22(20,21)19-10-8-16(9-11-19)14(3)18/h4-7,13-14,16H,8-12,18H2,1-3H3
InChIKeyBFYMYMINQXDSAN-UHFFFAOYSA-N
XLogP2.63
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[4-(methylsulfonylmethyl)phenyl]sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119975061
2-[4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylphenyl]acetonitrile
CID 79203402
1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidine
CID 778269
1-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]ethanamine
CID 119974952
1-[1-(4-ethylphenyl)sulfonylpyrrolidin-3-yl]ethanamine;hydrochloride
CID 120583154
4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylbenzamide
CID 63597099
N-[4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 119974725
1-(4-tert-butylphenyl)sulfonyl-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine
CID 19684674
ethyl 4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylbenzoate;hydrochloride
CID 119974949
2-[4-[3-(1-aminoethyl)pyrrolidin-1-yl]sulfonylphenyl]acetonitrile
CID 103976027
(R)-1H-imidazol-2-yl-[1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-4-yl]methanol
CID 99802859
methyl 4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylbenzoate
CID 119974740

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-4-yl]ethanamine?
The IUPAC name of 1-[1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-4-yl]ethanamine (CID 119975031) is 1-[1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-4-yl]ethanamine.
What is the SMILES notation for 1-[1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-4-yl]ethanamine?
The canonical SMILES for 1-[1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-4-yl]ethanamine is CC(C)Cc1ccc(S(=O)(=O)N2CCC(C(C)N)CC2)cc1.
What is the InChIKey of 1-[1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-4-yl]ethanamine?
The InChIKey is BFYMYMINQXDSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2S/c1-13(2)12-15-4-6-17(7-5-15)22(20,21)19-10-8-16(9-11-19)14(3)18/h4-7,13-14,16H,8-12,18H2,1-3H3.
What are the key properties of 1-[1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-4-yl]ethanamine?
1-[1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-4-yl]ethanamine has a molecular weight of 324.49 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-4-yl]ethanamine is sourced from PubChem (CID 119975031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).