3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-ol

C11H17NO3S2 — CID 113343869

IUPAC3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-ol
SMILESCc1ccc(S(=O)(=O)N2CCCC(C)(O)C2)s1
InChIInChI=1S/C11H17NO3S2/c1-9-4-5-10(16-9)17(14,15)12-7-3-6-11(2,13)8-12/h4-5,13H,3,6-8H2,1-2H3
InChIKeyFUMYKNPVJIAUIQ-UHFFFAOYSA-N
MW275.39 g/mol
LogP1.59
Rot. Bonds2

About 3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-ol

3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-ol (PubChem CID 113343869) has the molecular formula C11H17NO3S2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-ol.

Molecular Properties

Compound Name3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-ol
PubChem CID113343869
Molecular FormulaC11H17NO3S2
Molecular Weight275.39 g/mol
Exact Mass275.06
IUPAC Name3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-ol
SMILESCc1ccc(S(=O)(=O)N2CCCC(C)(O)C2)s1
InChIInChI=1S/C11H17NO3S2/c1-9-4-5-10(16-9)17(14,15)12-7-3-6-11(2,13)8-12/h4-5,13H,3,6-8H2,1-2H3
InChIKeyFUMYKNPVJIAUIQ-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-methylthiophen-2-yl)sulfonyl-2,8-diazaspiro[5.5]undecane
CID 102850015
3-amino-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 107323845
1-cyclopentyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 110708935
3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine
CID 4729251
3,3-dimethyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-2-carboxylic acid
CID 106831629
(3R)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylate
CID 2055816
N-[1-(aminomethyl)cyclopentyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 119568233
[4-(5-methylthiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-phenylmethanone
CID 110798201
3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-ol
CID 115872482
[6,6-dimethyl-4-(5-methylthiophen-2-yl)sulfonylmorpholin-2-yl]methanol
CID 114779103
3-methyl-8-(5-methylthiophen-2-yl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110713834
1-(5-methylthiophen-2-yl)sulfonyl-4-(thiolan-3-yl)-1,4-diazepane
CID 134160708

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-ol?
The IUPAC name of 3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-ol (CID 113343869) is 3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-ol.
What is the SMILES notation for 3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-ol?
The canonical SMILES for 3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-ol is Cc1ccc(S(=O)(=O)N2CCCC(C)(O)C2)s1.
What is the InChIKey of 3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-ol?
The InChIKey is FUMYKNPVJIAUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S2/c1-9-4-5-10(16-9)17(14,15)12-7-3-6-11(2,13)8-12/h4-5,13H,3,6-8H2,1-2H3.
What are the key properties of 3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-ol?
3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-ol has a molecular weight of 275.39 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-ol is sourced from PubChem (CID 113343869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).