2-[5-(3-methoxypiperidin-1-yl)sulfonylthiophen-2-yl]ethanamine

C12H20N2O3S2 — CID 102959737

IUPAC2-[5-(3-methoxypiperidin-1-yl)sulfonylthiophen-2-yl]ethanamine
SMILESCOC1CCCN(S(=O)(=O)c2ccc(CCN)s2)C1
InChIInChI=1S/C12H20N2O3S2/c1-17-10-3-2-8-14(9-10)19(15,16)12-5-4-11(18-12)6-7-13/h4-5,10H,2-3,6-9,13H2,1H3
InChIKeyXSUCYDYWYCYADX-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.05
Rot. Bonds5

About 2-[5-(3-methoxypiperidin-1-yl)sulfonylthiophen-2-yl]ethanamine

2-[5-(3-methoxypiperidin-1-yl)sulfonylthiophen-2-yl]ethanamine (PubChem CID 102959737) has the molecular formula C12H20N2O3S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-[5-(3-methoxypiperidin-1-yl)sulfonylthiophen-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(3-methoxypiperidin-1-yl)sulfonylthiophen-2-yl]ethanamine
PubChem CID102959737
Molecular FormulaC12H20N2O3S2
Molecular Weight304.44 g/mol
Exact Mass304.09
IUPAC Name2-[5-(3-methoxypiperidin-1-yl)sulfonylthiophen-2-yl]ethanamine
SMILESCOC1CCCN(S(=O)(=O)c2ccc(CCN)s2)C1
InChIInChI=1S/C12H20N2O3S2/c1-17-10-3-2-8-14(9-10)19(15,16)12-5-4-11(18-12)6-7-13/h4-5,10H,2-3,6-9,13H2,1H3
InChIKeyXSUCYDYWYCYADX-UHFFFAOYSA-N
XLogP1.05
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)sulfonylthiophen-2-yl]ethanamine
CID 63540471
1-[5-(2-aminoethyl)thiophen-2-yl]sulfonyl-4-methylpiperidin-3-ol
CID 102959677
[1-[5-(2-aminoethyl)thiophen-2-yl]sulfonylpiperidin-4-yl]methanol
CID 43520966
2-[5-(2-methylpyrrolidin-1-yl)sulfonylthiophen-2-yl]ethanamine
CID 54882469
1-[5-(2-aminoethyl)thiophen-2-yl]sulfonyl-N,N-dimethylpiperidin-4-amine
CID 43586343
2-[5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]thiophen-2-yl]ethanamine
CID 43520773
1-[5-(2-aminoethyl)thiophen-2-yl]sulfonylpiperidin-4-ol
CID 43520883
2-[5-(4-methylsulfonylpiperazin-1-yl)sulfonylthiophen-2-yl]ethanamine
CID 62992395
1-(5-ethylthiophen-2-yl)sulfonyl-3-(methoxymethyl)piperidine
CID 121092333
2-[5-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonylthiophen-2-yl]ethanamine
CID 61443457
[5-(3-methoxypiperidin-1-yl)sulfonyl-3-methylthiophen-2-yl]methanol
CID 102970866
2-[5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]thiophen-2-yl]ethanamine
CID 54975361

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-methoxypiperidin-1-yl)sulfonylthiophen-2-yl]ethanamine?
The IUPAC name of 2-[5-(3-methoxypiperidin-1-yl)sulfonylthiophen-2-yl]ethanamine (CID 102959737) is 2-[5-(3-methoxypiperidin-1-yl)sulfonylthiophen-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(3-methoxypiperidin-1-yl)sulfonylthiophen-2-yl]ethanamine?
The canonical SMILES for 2-[5-(3-methoxypiperidin-1-yl)sulfonylthiophen-2-yl]ethanamine is COC1CCCN(S(=O)(=O)c2ccc(CCN)s2)C1.
What is the InChIKey of 2-[5-(3-methoxypiperidin-1-yl)sulfonylthiophen-2-yl]ethanamine?
The InChIKey is XSUCYDYWYCYADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S2/c1-17-10-3-2-8-14(9-10)19(15,16)12-5-4-11(18-12)6-7-13/h4-5,10H,2-3,6-9,13H2,1H3.
What are the key properties of 2-[5-(3-methoxypiperidin-1-yl)sulfonylthiophen-2-yl]ethanamine?
2-[5-(3-methoxypiperidin-1-yl)sulfonylthiophen-2-yl]ethanamine has a molecular weight of 304.44 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-methoxypiperidin-1-yl)sulfonylthiophen-2-yl]ethanamine is sourced from PubChem (CID 102959737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).