1-(piperidin-2-ylmethylsulfonyl)piperidine

C11H22N2O2S — CID 55151116

IUPAC1-(piperidin-2-ylmethylsulfonyl)piperidine
SMILESO=S(=O)(CC1CCCCN1)N1CCCCC1
InChIInChI=1S/C11H22N2O2S/c14-16(15,13-8-4-1-5-9-13)10-11-6-2-3-7-12-11/h11-12H,1-10H2
InChIKeyCADRKQPXOUDMHW-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.94
Rot. Bonds3

About 1-(piperidin-2-ylmethylsulfonyl)piperidine

1-(piperidin-2-ylmethylsulfonyl)piperidine (PubChem CID 55151116) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 1-(piperidin-2-ylmethylsulfonyl)piperidine.

Molecular Properties

Compound Name1-(piperidin-2-ylmethylsulfonyl)piperidine
PubChem CID55151116
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name1-(piperidin-2-ylmethylsulfonyl)piperidine
SMILESO=S(=O)(CC1CCCCN1)N1CCCCC1
InChIInChI=1S/C11H22N2O2S/c14-16(15,13-8-4-1-5-9-13)10-11-6-2-3-7-12-11/h11-12H,1-10H2
InChIKeyCADRKQPXOUDMHW-UHFFFAOYSA-N
XLogP0.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(piperidin-2-ylmethylsulfonyl)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

2-(piperidin-2-ylmethylsulfonyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 63154862
4-(piperidin-2-ylmethylsulfonyl)piperazin-2-one
CID 54973565
2-[1-(piperidin-2-ylmethylsulfonyl)piperidin-3-yl]ethanol
CID 107227893
3-(methoxymethyl)-1-(piperidin-2-ylmethylsulfonyl)piperidine
CID 106587601
1,2,6-trimethyl-4-(piperidin-2-ylmethylsulfonyl)piperazine
CID 114537834
N,N-diethyl-1-(piperidin-2-ylmethylsulfonyl)pyrrolidin-3-amine
CID 63540168
2-(pyrrolidin-2-ylmethylsulfonyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 63154863
1-methyl-6-(piperidin-2-ylmethylsulfonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81198917
N-methyl-N-(piperidin-2-ylmethyl)azepane-1-sulfonamide
CID 106630525
4-ethyl-1-(2-piperidin-2-ylethylsulfonyl)piperidine
CID 61421410
2-(cyclopropylsulfonylmethyl)piperidine
CID 84671803
4-methyl-1-(pyrrolidin-2-ylmethylsulfonyl)-3,6-dihydro-2H-pyridine
CID 114411279

Frequently Asked Questions

What is the IUPAC name of 1-(piperidin-2-ylmethylsulfonyl)piperidine?
The IUPAC name of 1-(piperidin-2-ylmethylsulfonyl)piperidine (CID 55151116) is 1-(piperidin-2-ylmethylsulfonyl)piperidine.
What is the SMILES notation for 1-(piperidin-2-ylmethylsulfonyl)piperidine?
The canonical SMILES for 1-(piperidin-2-ylmethylsulfonyl)piperidine is O=S(=O)(CC1CCCCN1)N1CCCCC1.
What is the InChIKey of 1-(piperidin-2-ylmethylsulfonyl)piperidine?
The InChIKey is CADRKQPXOUDMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c14-16(15,13-8-4-1-5-9-13)10-11-6-2-3-7-12-11/h11-12H,1-10H2.
What are the key properties of 1-(piperidin-2-ylmethylsulfonyl)piperidine?
1-(piperidin-2-ylmethylsulfonyl)piperidine has a molecular weight of 246.38 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidin-2-ylmethylsulfonyl)piperidine is sourced from PubChem (CID 55151116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).