3-ethyl-1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-amine

C12H20N2O2S2 — CID 81458222

IUPAC3-ethyl-1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-amine
SMILESCCC1CN(S(=O)(=O)c2ccc(C)s2)CCC1N
InChIInChI=1S/C12H20N2O2S2/c1-3-10-8-14(7-6-11(10)13)18(15,16)12-5-4-9(2)17-12/h4-5,10-11H,3,6-8,13H2,1-2H3
InChIKeyKJGMDEIDEBXJEE-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.80
Rot. Bonds3

About 3-ethyl-1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-amine

3-ethyl-1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-amine (PubChem CID 81458222) has the molecular formula C12H20N2O2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is 3-ethyl-1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-amine.

Molecular Properties

Compound Name3-ethyl-1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-amine
PubChem CID81458222
Molecular FormulaC12H20N2O2S2
Molecular Weight288.44 g/mol
Exact Mass288.10
IUPAC Name3-ethyl-1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-amine
SMILESCCC1CN(S(=O)(=O)c2ccc(C)s2)CCC1N
InChIInChI=1S/C12H20N2O2S2/c1-3-10-8-14(7-6-11(10)13)18(15,16)12-5-4-9(2)17-12/h4-5,10-11H,3,6-8,13H2,1-2H3
InChIKeyKJGMDEIDEBXJEE-UHFFFAOYSA-N
XLogP1.80
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine
CID 62067377
1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971533
(3S)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993403
1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]ethanamine
CID 63595170
1-(2,4-dimethylphenyl)sulfonyl-3-ethylpiperidin-4-amine
CID 81458322
3-(cyclopropylmethoxy)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine
CID 121197707
3-benzyl-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine
CID 110874340
1-(2,5-dibromothiophen-3-yl)sulfonyl-3-ethylpiperidin-4-amine
CID 81458578
3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine
CID 4729251
1-(5-chloro-4-nitrothiophen-2-yl)sulfonyl-3-ethylpiperidin-4-amine
CID 81452738
2-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]acetic acid
CID 78980451
3-ethyl-1-(2-methoxyphenyl)sulfonylpiperidin-4-amine
CID 81458430

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-amine?
The IUPAC name of 3-ethyl-1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-amine (CID 81458222) is 3-ethyl-1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-amine.
What is the SMILES notation for 3-ethyl-1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-amine?
The canonical SMILES for 3-ethyl-1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-amine is CCC1CN(S(=O)(=O)c2ccc(C)s2)CCC1N.
What is the InChIKey of 3-ethyl-1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-amine?
The InChIKey is KJGMDEIDEBXJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S2/c1-3-10-8-14(7-6-11(10)13)18(15,16)12-5-4-9(2)17-12/h4-5,10-11H,3,6-8,13H2,1-2H3.
What are the key properties of 3-ethyl-1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-amine?
3-ethyl-1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-amine has a molecular weight of 288.44 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-amine is sourced from PubChem (CID 81458222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).