1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidine

C11H17NO2S2 — CID 718928

IUPAC1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidine
SMILESCc1cc(S(=O)(=O)N2CCCCC2)c(C)s1
InChIInChI=1S/C11H17NO2S2/c1-9-8-11(10(2)15-9)16(13,14)12-6-4-3-5-7-12/h8H,3-7H2,1-2H3
InChIKeyHIFHUPNPVHXJQQ-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.54
Rot. Bonds2

About 1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidine

1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidine (PubChem CID 718928) has the molecular formula C11H17NO2S2 and a molecular weight of 259.40 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidine
PubChem CID718928
Molecular FormulaC11H17NO2S2
Molecular Weight259.40 g/mol
Exact Mass259.07
IUPAC Name1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidine
SMILESCc1cc(S(=O)(=O)N2CCCCC2)c(C)s1
InChIInChI=1S/C11H17NO2S2/c1-9-8-11(10(2)15-9)16(13,14)12-6-4-3-5-7-12/h8H,3-7H2,1-2H3
InChIKeyHIFHUPNPVHXJQQ-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-4-amine
CID 43556372
1-(2,5-dimethylthiophen-3-yl)sulfonyl-N-methylpiperidin-4-amine
CID 119979998
(3S)-1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-3-ol
CID 93084328
1-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol
CID 63237331
1-(2,5-dimethylthiophen-3-yl)sulfonyl-1,4-diazepan-5-one
CID 60709201
1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-(3-methylbutyl)piperazine
CID 60540170
7-(2,5-dimethylthiophen-3-yl)sulfonyl-2,7-diazaspiro[4.5]decane
CID 122556209
5-(2,5-dimethylthiophen-3-yl)sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66210855
1-(2,5-dimethylthiophen-3-yl)sulfonyl-3,5-dimethylpiperazine
CID 63874056
(3R)-1-(2,5-dimethylthiophen-3-yl)sulfonyl-3-methylpiperazine
CID 104975146
3-[1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-4-yl]propanoic acid
CID 62218191
[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]-(oxiran-2-yl)methanone
CID 154879885

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidine?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidine (CID 718928) is 1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidine.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidine?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidine is Cc1cc(S(=O)(=O)N2CCCCC2)c(C)s1.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidine?
The InChIKey is HIFHUPNPVHXJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S2/c1-9-8-11(10(2)15-9)16(13,14)12-6-4-3-5-7-12/h8H,3-7H2,1-2H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidine?
1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidine has a molecular weight of 259.40 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidine is sourced from PubChem (CID 718928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).