3-methyl-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-ol

C12H24N2O3S — CID 115872498

IUPAC3-methyl-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-ol
SMILESCC1CCCN(S(=O)(=O)N2CCCC(C)(O)C2)C1
InChIInChI=1S/C12H24N2O3S/c1-11-5-3-7-13(9-11)18(16,17)14-8-4-6-12(2,15)10-14/h11,15H,3-10H2,1-2H3
InChIKeyXZCIYDULENIHHR-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.81
Rot. Bonds2

About 3-methyl-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-ol

3-methyl-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-ol (PubChem CID 115872498) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 3-methyl-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-ol.

Molecular Properties

Compound Name3-methyl-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-ol
PubChem CID115872498
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name3-methyl-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-ol
SMILESCC1CCCN(S(=O)(=O)N2CCCC(C)(O)C2)C1
InChIInChI=1S/C12H24N2O3S/c1-11-5-3-7-13(9-11)18(16,17)14-8-4-6-12(2,15)10-14/h11,15H,3-10H2,1-2H3
InChIKeyXZCIYDULENIHHR-UHFFFAOYSA-N
XLogP0.81
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-ol
CID 43503036
(3S)-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-ol
CID 107225019
4-methyl-1-(3-methylpiperidin-1-yl)sulfonylpiperidine-4-carbothioamide
CID 107161320
3,3-dimethyl-1-(3-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylic acid
CID 106831621
(3S)-1-(3-methylpiperidin-1-yl)sulfonylpyrrolidin-3-amine
CID 115302221
(3R)-1-[(3R)-3-methylpiperidin-1-yl]sulfonylpyrrolidine-3-carboxylic acid
CID 129410180
(3S)-1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidine-3-carboxamide
CID 94806388
(3R)-3-methyl-1-(3-methylpiperidin-1-yl)sulfonylpiperazine
CID 104975049
1-(3-methylpiperidin-1-yl)sulfonylpiperazine;hydrochloride
CID 119961883
(3R)-1-(3-methylpiperidin-1-yl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962874
4-methyl-1-pyrrolidin-1-ylsulfonylazepan-4-ol
CID 107407041
1-(4-hydroxy-4-methylazepan-1-yl)sulfonylpiperidine-4-carboxylic acid
CID 107404034

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-ol?
The IUPAC name of 3-methyl-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-ol (CID 115872498) is 3-methyl-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-ol.
What is the SMILES notation for 3-methyl-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-ol?
The canonical SMILES for 3-methyl-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-ol is CC1CCCN(S(=O)(=O)N2CCCC(C)(O)C2)C1.
What is the InChIKey of 3-methyl-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-ol?
The InChIKey is XZCIYDULENIHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-11-5-3-7-13(9-11)18(16,17)14-8-4-6-12(2,15)10-14/h11,15H,3-10H2,1-2H3.
What are the key properties of 3-methyl-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-ol?
3-methyl-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-ol has a molecular weight of 276.40 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-ol is sourced from PubChem (CID 115872498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).