4-tert-butyl-1-(piperidin-3-ylmethylsulfonyl)piperidine

C15H30N2O2S — CID 62085436

IUPAC4-tert-butyl-1-(piperidin-3-ylmethylsulfonyl)piperidine
SMILESCC(C)(C)C1CCN(S(=O)(=O)CC2CCCNC2)CC1
InChIInChI=1S/C15H30N2O2S/c1-15(2,3)14-6-9-17(10-7-14)20(18,19)12-13-5-4-8-16-11-13/h13-14,16H,4-12H2,1-3H3
InChIKeyFRFJPNAUNMRJLM-UHFFFAOYSA-N
MW302.48 g/mol
LogP2.07
Rot. Bonds3

About 4-tert-butyl-1-(piperidin-3-ylmethylsulfonyl)piperidine

4-tert-butyl-1-(piperidin-3-ylmethylsulfonyl)piperidine (PubChem CID 62085436) has the molecular formula C15H30N2O2S and a molecular weight of 302.48 g/mol. Its IUPAC name is 4-tert-butyl-1-(piperidin-3-ylmethylsulfonyl)piperidine.

Molecular Properties

Compound Name4-tert-butyl-1-(piperidin-3-ylmethylsulfonyl)piperidine
PubChem CID62085436
Molecular FormulaC15H30N2O2S
Molecular Weight302.48 g/mol
Exact Mass302.20
IUPAC Name4-tert-butyl-1-(piperidin-3-ylmethylsulfonyl)piperidine
SMILESCC(C)(C)C1CCN(S(=O)(=O)CC2CCCNC2)CC1
InChIInChI=1S/C15H30N2O2S/c1-15(2,3)14-6-9-17(10-7-14)20(18,19)12-13-5-4-8-16-11-13/h13-14,16H,4-12H2,1-3H3
InChIKeyFRFJPNAUNMRJLM-UHFFFAOYSA-N
XLogP2.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-tert-butyl-1-(piperidin-3-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

4-tert-butyl-1-(cyclopropylmethylsulfonyl)piperidine
CID 170685638
4-(piperidin-3-ylmethylsulfonyl)-1,4-thiazepane
CID 54972395
4-tert-butyl-1-[[(3R)-piperidin-3-yl]methyl]piperidine;ethane
CID 166490138
3-[(3,4-dimethoxypyrrolidin-1-yl)sulfonylmethyl]piperidine
CID 103535343
1-methyl-6-(piperidin-3-ylmethylsulfonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81199542
3-[(3-phenylpyrrolidin-1-yl)sulfonylmethyl]piperidine
CID 62133046
N-(2-cyclopropylpropan-2-yl)-1-piperidin-3-ylmethanesulfonamide
CID 114111424
1-(piperidin-3-ylmethylsulfonyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65320272
2,4-dimethyl-1-(piperidin-3-ylmethylsulfonyl)piperidine
CID 62331848
1-(bromomethylsulfonyl)-4-tert-butylazepane
CID 83086079
[4-(piperidin-3-ylmethylsulfonyl)morpholin-2-yl]methanol
CID 81205073
4-tert-butyl-1-piperidin-4-ylsulfonylpiperidine
CID 62085790

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(piperidin-3-ylmethylsulfonyl)piperidine?
The IUPAC name of 4-tert-butyl-1-(piperidin-3-ylmethylsulfonyl)piperidine (CID 62085436) is 4-tert-butyl-1-(piperidin-3-ylmethylsulfonyl)piperidine.
What is the SMILES notation for 4-tert-butyl-1-(piperidin-3-ylmethylsulfonyl)piperidine?
The canonical SMILES for 4-tert-butyl-1-(piperidin-3-ylmethylsulfonyl)piperidine is CC(C)(C)C1CCN(S(=O)(=O)CC2CCCNC2)CC1.
What is the InChIKey of 4-tert-butyl-1-(piperidin-3-ylmethylsulfonyl)piperidine?
The InChIKey is FRFJPNAUNMRJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2S/c1-15(2,3)14-6-9-17(10-7-14)20(18,19)12-13-5-4-8-16-11-13/h13-14,16H,4-12H2,1-3H3.
What are the key properties of 4-tert-butyl-1-(piperidin-3-ylmethylsulfonyl)piperidine?
4-tert-butyl-1-(piperidin-3-ylmethylsulfonyl)piperidine has a molecular weight of 302.48 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(piperidin-3-ylmethylsulfonyl)piperidine is sourced from PubChem (CID 62085436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).