1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]ethanamine

C12H20N2O2S2 — CID 63595170

IUPAC1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]ethanamine
SMILESCc1ccc(S(=O)(=O)N2CCC(C(C)N)CC2)s1
InChIInChI=1S/C12H20N2O2S2/c1-9-3-4-12(17-9)18(15,16)14-7-5-11(6-8-14)10(2)13/h3-4,10-11H,5-8,13H2,1-2H3
InChIKeyWIBHQBBALBSPBX-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.80
Rot. Bonds3

About 1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]ethanamine

1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]ethanamine (PubChem CID 63595170) has the molecular formula C12H20N2O2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]ethanamine
PubChem CID63595170
Molecular FormulaC12H20N2O2S2
Molecular Weight288.44 g/mol
Exact Mass288.10
IUPAC Name1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]ethanamine
SMILESCc1ccc(S(=O)(=O)N2CCC(C(C)N)CC2)s1
InChIInChI=1S/C12H20N2O2S2/c1-9-3-4-12(17-9)18(15,16)14-7-5-11(6-8-14)10(2)13/h3-4,10-11H,5-8,13H2,1-2H3
InChIKeyWIBHQBBALBSPBX-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
3-ethyl-1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-amine
CID 81458222
1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]pyrrolidine-2,5-dione
CID 113083144
2-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]acetic acid
CID 78980451
1-cyclopentyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 110708935
4-(benzenesulfonyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine
CID 90589444
2-methyl-5-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]-1,3,4-thiadiazole
CID 71780450
3-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]oxypropan-1-amine
CID 79736720
N-[1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]ethyl]propan-1-amine
CID 63855058
1-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]ethanamine
CID 63597096

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]ethanamine?
The IUPAC name of 1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]ethanamine (CID 63595170) is 1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]ethanamine.
What is the SMILES notation for 1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]ethanamine?
The canonical SMILES for 1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]ethanamine is Cc1ccc(S(=O)(=O)N2CCC(C(C)N)CC2)s1.
What is the InChIKey of 1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]ethanamine?
The InChIKey is WIBHQBBALBSPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S2/c1-9-3-4-12(17-9)18(15,16)14-7-5-11(6-8-14)10(2)13/h3-4,10-11H,5-8,13H2,1-2H3.
What are the key properties of 1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]ethanamine?
1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]ethanamine 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 1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]ethanamine is sourced from PubChem (CID 63595170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).