1-[[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine

C20H32N2O2S — CID 46287422

IUPAC1-[[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine
SMILESCc1cc(C)cc(S(=O)(=O)N2CCC(CN3CCCC(C)C3)CC2)c1
InChIInChI=1S/C20H32N2O2S/c1-16-5-4-8-21(14-16)15-19-6-9-22(10-7-19)25(23,24)20-12-17(2)11-18(3)13-20/h11-13,16,19H,4-10,14-15H2,1-3H3
InChIKeyANVPHRLLXUSDBT-UHFFFAOYSA-N
MW364.56 g/mol
LogP3.44
Rot. Bonds4

About 1-[[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine

1-[[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine (PubChem CID 46287422) has the molecular formula C20H32N2O2S and a molecular weight of 364.56 g/mol. Its IUPAC name is 1-[[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine.

Molecular Properties

Compound Name1-[[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine
PubChem CID46287422
Molecular FormulaC20H32N2O2S
Molecular Weight364.56 g/mol
Exact Mass364.22
IUPAC Name1-[[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine
SMILESCc1cc(C)cc(S(=O)(=O)N2CCC(CN3CCCC(C)C3)CC2)c1
InChIInChI=1S/C20H32N2O2S/c1-16-5-4-8-21(14-16)15-19-6-9-22(10-7-19)25(23,24)20-12-17(2)11-18(3)13-20/h11-13,16,19H,4-10,14-15H2,1-3H3
InChIKeyANVPHRLLXUSDBT-UHFFFAOYSA-N
XLogP3.44
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.56
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-methyl-1-[[1-(3-methylphenyl)sulfonylpiperidin-4-yl]methyl]piperidine
CID 92865689
(3R)-3-methyl-1-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methyl]piperidine
CID 92865643
1-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine
CID 46287394
1-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine
CID 46287400
(3R)-1-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine
CID 92865653
(3R)-1-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine
CID 92865667
4-[4-[[(3S)-3-methylpiperidin-1-yl]methyl]piperidin-1-yl]sulfonyl-2,1,3-benzothiadiazole
CID 92501464
1-(3,4-dimethylphenyl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine
CID 46287318
(3S)-3-methyl-1-(4-methylphenyl)sulfonylpiperidine
CID 668967
N-(4-methylphenyl)-4-[(3-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
CID 50845478
8-(benzenesulfonyl)-3-[(3-methylpiperidin-1-yl)methyl]-2-oxa-8-azaspiro[4.5]decane
CID 131678624
1-(4-methylphenyl)sulfonyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]piperidine-4-carboxamide
CID 100650018

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine?
The IUPAC name of 1-[[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine (CID 46287422) is 1-[[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine.
What is the SMILES notation for 1-[[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine?
The canonical SMILES for 1-[[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine is Cc1cc(C)cc(S(=O)(=O)N2CCC(CN3CCCC(C)C3)CC2)c1.
What is the InChIKey of 1-[[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine?
The InChIKey is ANVPHRLLXUSDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2S/c1-16-5-4-8-21(14-16)15-19-6-9-22(10-7-19)25(23,24)20-12-17(2)11-18(3)13-20/h11-13,16,19H,4-10,14-15H2,1-3H3.
What are the key properties of 1-[[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine?
1-[[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine has a molecular weight of 364.56 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine is sourced from PubChem (CID 46287422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).