1-[5-(2-aminoethyl)thiophen-2-yl]sulfonylpiperidin-4-ol

C11H18N2O3S2 — CID 43520883

IUPAC1-[5-(2-aminoethyl)thiophen-2-yl]sulfonylpiperidin-4-ol
SMILESNCCc1ccc(S(=O)(=O)N2CCC(O)CC2)s1
InChIInChI=1S/C11H18N2O3S2/c12-6-3-10-1-2-11(17-10)18(15,16)13-7-4-9(14)5-8-13/h1-2,9,14H,3-8,12H2
InChIKeyCLKKLLLOJWQRJL-UHFFFAOYSA-N
MW290.41 g/mol
LogP0.39
Rot. Bonds4

About 1-[5-(2-aminoethyl)thiophen-2-yl]sulfonylpiperidin-4-ol

1-[5-(2-aminoethyl)thiophen-2-yl]sulfonylpiperidin-4-ol (PubChem CID 43520883) has the molecular formula C11H18N2O3S2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[5-(2-aminoethyl)thiophen-2-yl]sulfonylpiperidin-4-ol.

Molecular Properties

Compound Name1-[5-(2-aminoethyl)thiophen-2-yl]sulfonylpiperidin-4-ol
PubChem CID43520883
Molecular FormulaC11H18N2O3S2
Molecular Weight290.41 g/mol
Exact Mass290.08
IUPAC Name1-[5-(2-aminoethyl)thiophen-2-yl]sulfonylpiperidin-4-ol
SMILESNCCc1ccc(S(=O)(=O)N2CCC(O)CC2)s1
InChIInChI=1S/C11H18N2O3S2/c12-6-3-10-1-2-11(17-10)18(15,16)13-7-4-9(14)5-8-13/h1-2,9,14H,3-8,12H2
InChIKeyCLKKLLLOJWQRJL-UHFFFAOYSA-N
XLogP0.39
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[5-(2-aminoethyl)thiophen-2-yl]sulfonylpiperidin-4-yl]methanol
CID 43520966
1-[5-(2-aminoethyl)thiophen-2-yl]sulfonyl-4-methylpiperidin-3-ol
CID 102959677
1-[5-(2-aminoethyl)thiophen-2-yl]sulfonyl-N,N-dimethylpiperidin-4-amine
CID 43586343
2-[5-(4-methylsulfonylpiperazin-1-yl)sulfonylthiophen-2-yl]ethanamine
CID 62992395
2-[5-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonylthiophen-2-yl]ethanamine
CID 61443457
2-[5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]thiophen-2-yl]ethanamine
CID 54975361
2-[5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)sulfonylthiophen-2-yl]ethanamine
CID 63540471
2-[5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]thiophen-2-yl]ethanamine
CID 43520773
5-(4-hydroxypiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 54907417
2-[5-(3-methoxypiperidin-1-yl)sulfonylthiophen-2-yl]ethanamine
CID 102959737
2-[5-(2-methylpyrrolidin-1-yl)sulfonylthiophen-2-yl]ethanamine
CID 54882469
N-[1-[5-(aminomethyl)thiophen-2-yl]sulfonylpiperidin-4-yl]acetamide
CID 106266502

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-aminoethyl)thiophen-2-yl]sulfonylpiperidin-4-ol?
The IUPAC name of 1-[5-(2-aminoethyl)thiophen-2-yl]sulfonylpiperidin-4-ol (CID 43520883) is 1-[5-(2-aminoethyl)thiophen-2-yl]sulfonylpiperidin-4-ol.
What is the SMILES notation for 1-[5-(2-aminoethyl)thiophen-2-yl]sulfonylpiperidin-4-ol?
The canonical SMILES for 1-[5-(2-aminoethyl)thiophen-2-yl]sulfonylpiperidin-4-ol is NCCc1ccc(S(=O)(=O)N2CCC(O)CC2)s1.
What is the InChIKey of 1-[5-(2-aminoethyl)thiophen-2-yl]sulfonylpiperidin-4-ol?
The InChIKey is CLKKLLLOJWQRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S2/c12-6-3-10-1-2-11(17-10)18(15,16)13-7-4-9(14)5-8-13/h1-2,9,14H,3-8,12H2.
What are the key properties of 1-[5-(2-aminoethyl)thiophen-2-yl]sulfonylpiperidin-4-ol?
1-[5-(2-aminoethyl)thiophen-2-yl]sulfonylpiperidin-4-ol has a molecular weight of 290.41 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-aminoethyl)thiophen-2-yl]sulfonylpiperidin-4-ol is sourced from PubChem (CID 43520883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).