1-methylsulfonyl-3-(piperidin-4-yloxymethyl)piperidine

C12H24N2O3S — CID 79613125

IUPAC1-methylsulfonyl-3-(piperidin-4-yloxymethyl)piperidine
SMILESCS(=O)(=O)N1CCCC(COC2CCNCC2)C1
InChIInChI=1S/C12H24N2O3S/c1-18(15,16)14-8-2-3-11(9-14)10-17-12-4-6-13-7-5-12/h11-13H,2-10H2,1H3
InChIKeyPDUIDJJTAKAMIV-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.43
Rot. Bonds4

About 1-methylsulfonyl-3-(piperidin-4-yloxymethyl)piperidine

1-methylsulfonyl-3-(piperidin-4-yloxymethyl)piperidine (PubChem CID 79613125) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 1-methylsulfonyl-3-(piperidin-4-yloxymethyl)piperidine.

Molecular Properties

Compound Name1-methylsulfonyl-3-(piperidin-4-yloxymethyl)piperidine
PubChem CID79613125
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name1-methylsulfonyl-3-(piperidin-4-yloxymethyl)piperidine
SMILESCS(=O)(=O)N1CCCC(COC2CCNCC2)C1
InChIInChI=1S/C12H24N2O3S/c1-18(15,16)14-8-2-3-11(9-14)10-17-12-4-6-13-7-5-12/h11-13H,2-10H2,1H3
InChIKeyPDUIDJJTAKAMIV-UHFFFAOYSA-N
XLogP0.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methylsulfonyl-3-(piperidin-4-yloxymethyl)piperidine 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

3-[(1-methylsulfonylpiperidin-3-yl)methoxy]cyclobutan-1-amine
CID 79610235
1-methylsulfonyl-3-(pyrrolidin-3-ylmethoxymethyl)piperidine
CID 79611515
3-[(1-methylsulfonylpiperidin-3-yl)methoxy]cyclopentan-1-amine
CID 79610956
7-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]-1,4-diazepane
CID 79622838
2-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methoxy]propan-1-amine
CID 79604534
methyl 2-(1-methylsulfonylpiperidin-3-yl)acetate
CID 106942546
N-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methoxy]ethanamine
CID 79609993
3-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine
CID 59148098
1-methylsulfonyl-4-(2-piperidin-4-yloxyethyl)piperazine
CID 55251864
3-ethyl-3-methoxy-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol
CID 116752854
3-[(1-methylsulfonylpiperidin-3-yl)methoxymethyl]pentan-3-amine
CID 79613127
3-ethyl-3-methoxy-N-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-amine
CID 116760948

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-3-(piperidin-4-yloxymethyl)piperidine?
The IUPAC name of 1-methylsulfonyl-3-(piperidin-4-yloxymethyl)piperidine (CID 79613125) is 1-methylsulfonyl-3-(piperidin-4-yloxymethyl)piperidine.
What is the SMILES notation for 1-methylsulfonyl-3-(piperidin-4-yloxymethyl)piperidine?
The canonical SMILES for 1-methylsulfonyl-3-(piperidin-4-yloxymethyl)piperidine is CS(=O)(=O)N1CCCC(COC2CCNCC2)C1.
What is the InChIKey of 1-methylsulfonyl-3-(piperidin-4-yloxymethyl)piperidine?
The InChIKey is PDUIDJJTAKAMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-18(15,16)14-8-2-3-11(9-14)10-17-12-4-6-13-7-5-12/h11-13H,2-10H2,1H3.
What are the key properties of 1-methylsulfonyl-3-(piperidin-4-yloxymethyl)piperidine?
1-methylsulfonyl-3-(piperidin-4-yloxymethyl)piperidine has a molecular weight of 276.40 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-3-(piperidin-4-yloxymethyl)piperidine is sourced from PubChem (CID 79613125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).