(3S)-1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-3-ol

C11H17NO3S2 — CID 93084328

IUPAC(3S)-1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-3-ol
SMILESCc1cc(S(=O)(=O)N2CCC[C@H](O)C2)c(C)s1
InChIInChI=1S/C11H17NO3S2/c1-8-6-11(9(2)16-8)17(14,15)12-5-3-4-10(13)7-12/h6,10,13H,3-5,7H2,1-2H3/t10-/m0/s1
InChIKeyFCOFNMOHDQCWEM-JTQLQIEISA-N
MW275.39 g/mol
LogP1.51
Rot. Bonds2

About (3S)-1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-3-ol

(3S)-1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-3-ol (PubChem CID 93084328) has the molecular formula C11H17NO3S2 and a molecular weight of 275.39 g/mol. Its IUPAC name is (3S)-1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-3-ol
PubChem CID93084328
Molecular FormulaC11H17NO3S2
Molecular Weight275.39 g/mol
Exact Mass275.06
IUPAC Name(3S)-1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-3-ol
SMILESCc1cc(S(=O)(=O)N2CCC[C@H](O)C2)c(C)s1
InChIInChI=1S/C11H17NO3S2/c1-8-6-11(9(2)16-8)17(14,15)12-5-3-4-10(13)7-12/h6,10,13H,3-5,7H2,1-2H3/t10-/m0/s1
InChIKeyFCOFNMOHDQCWEM-JTQLQIEISA-N
XLogP1.51
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonyl-5-methylthiophene-2-carboxylic acid
CID 107215064
1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidine
CID 718928
(3S)-1-(2,5-dibromothiophen-3-yl)sulfonylpiperidin-3-ol
CID 93084326
tert-butyl N-[1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-3-yl]-N-methylcarbamate
CID 75419194
1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-4-amine
CID 43556372
2-[(3R)-1-(2,5-dimethylthiophen-3-yl)sulfonylpyrrolidin-3-yl]oxyacetic acid
CID 166263446
(3R)-1-(2,5-dimethylthiophen-3-yl)sulfonyl-3-methylpiperazine
CID 104975146
1-(2,5-dimethylthiophen-3-yl)sulfonyl-N-methylpiperidin-4-amine
CID 119979998
4-(3-hydroxypiperidin-1-yl)sulfonyl-5-methylfuran-2-carboxylic acid
CID 62804142
(3S)-1-(5-amino-4-bromo-2-methylphenyl)sulfonylpiperidin-3-ol
CID 107213869
(3R,8aR)-2-(2,5-dimethylthiophen-3-yl)sulfonyl-3-methyl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one
CID 137341741
1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidin-3-ol
CID 3867017

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-3-ol?
The IUPAC name of (3S)-1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-3-ol (CID 93084328) is (3S)-1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-3-ol.
What is the SMILES notation for (3S)-1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-3-ol?
The canonical SMILES for (3S)-1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-3-ol is Cc1cc(S(=O)(=O)N2CCC[C@H](O)C2)c(C)s1.
What is the InChIKey of (3S)-1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-3-ol?
The InChIKey is FCOFNMOHDQCWEM-JTQLQIEISA-N. The full InChI is InChI=1S/C11H17NO3S2/c1-8-6-11(9(2)16-8)17(14,15)12-5-3-4-10(13)7-12/h6,10,13H,3-5,7H2,1-2H3/t10-/m0/s1.
What are the key properties of (3S)-1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-3-ol?
(3S)-1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-3-ol has a molecular weight of 275.39 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-3-ol is sourced from PubChem (CID 93084328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).