3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine

C11H17NO2S2 — CID 4729251

IUPAC3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine
SMILESCc1ccc(S(=O)(=O)N2CCCC(C)C2)s1
InChIInChI=1S/C11H17NO2S2/c1-9-4-3-7-12(8-9)16(13,14)11-6-5-10(2)15-11/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyAYQVUHALJUFIQE-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.48
Rot. Bonds2

About 3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine

3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine (PubChem CID 4729251) has the molecular formula C11H17NO2S2 and a molecular weight of 259.40 g/mol. Its IUPAC name is 3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine.

Molecular Properties

Compound Name3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine
PubChem CID4729251
Molecular FormulaC11H17NO2S2
Molecular Weight259.40 g/mol
Exact Mass259.07
IUPAC Name3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine
SMILESCc1ccc(S(=O)(=O)N2CCCC(C)C2)s1
InChIInChI=1S/C11H17NO2S2/c1-9-4-3-7-12(8-9)16(13,14)11-6-5-10(2)15-11/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyAYQVUHALJUFIQE-UHFFFAOYSA-N
XLogP2.48
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylate
CID 2055816
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
N-butan-2-yl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 46547457
N-[1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]ethyl]propan-1-amine
CID 63855058
(3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-propylpiperidine-3-carboxamide
CID 34827204
(3S)-3-methyl-1-(4-methylphenyl)sulfonylpiperidine
CID 668967
N-(4-acetyl-1,3-thiazol-2-yl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 24643295
1-cyclopentyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 110708935
(2-methylpiperazin-1-yl)-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methanone
CID 119473386
N-methyl-N-(4-methylphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 60622079

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine?
The IUPAC name of 3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine (CID 4729251) is 3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine.
What is the SMILES notation for 3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine?
The canonical SMILES for 3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine is Cc1ccc(S(=O)(=O)N2CCCC(C)C2)s1.
What is the InChIKey of 3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine?
The InChIKey is AYQVUHALJUFIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S2/c1-9-4-3-7-12(8-9)16(13,14)11-6-5-10(2)15-11/h5-6,9H,3-4,7-8H2,1-2H3.
What are the key properties of 3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine?
3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine has a molecular weight of 259.40 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine is sourced from PubChem (CID 4729251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).