4-methyl-1-[[1-(2-methylphenyl)sulfonylpiperidin-4-yl]methyl]piperidine

C19H30N2O2S — CID 46287345

IUPAC4-methyl-1-[[1-(2-methylphenyl)sulfonylpiperidin-4-yl]methyl]piperidine
SMILESCc1ccccc1S(=O)(=O)N1CCC(CN2CCC(C)CC2)CC1
InChIInChI=1S/C19H30N2O2S/c1-16-7-11-20(12-8-16)15-18-9-13-21(14-10-18)24(22,23)19-6-4-3-5-17(19)2/h3-6,16,18H,7-15H2,1-2H3
InChIKeyKTHIZZKIJBALDU-UHFFFAOYSA-N
MW350.53 g/mol
LogP3.13
Rot. Bonds4

About 4-methyl-1-[[1-(2-methylphenyl)sulfonylpiperidin-4-yl]methyl]piperidine

4-methyl-1-[[1-(2-methylphenyl)sulfonylpiperidin-4-yl]methyl]piperidine (PubChem CID 46287345) has the molecular formula C19H30N2O2S and a molecular weight of 350.53 g/mol. Its IUPAC name is 4-methyl-1-[[1-(2-methylphenyl)sulfonylpiperidin-4-yl]methyl]piperidine.

Molecular Properties

Compound Name4-methyl-1-[[1-(2-methylphenyl)sulfonylpiperidin-4-yl]methyl]piperidine
PubChem CID46287345
Molecular FormulaC19H30N2O2S
Molecular Weight350.53 g/mol
Exact Mass350.20
IUPAC Name4-methyl-1-[[1-(2-methylphenyl)sulfonylpiperidin-4-yl]methyl]piperidine
SMILESCc1ccccc1S(=O)(=O)N1CCC(CN2CCC(C)CC2)CC1
InChIInChI=1S/C19H30N2O2S/c1-16-7-11-20(12-8-16)15-18-9-13-21(14-10-18)24(22,23)19-6-4-3-5-17(19)2/h3-6,16,18H,7-15H2,1-2H3
InChIKeyKTHIZZKIJBALDU-UHFFFAOYSA-N
XLogP3.13
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]sulfonylquinoline
CID 20930309
1-[[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine
CID 46287342
1-(2-methylphenyl)sulfonylaziridine
CID 22214975
N-[4-methyl-2-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]sulfonylphenyl]acetamide
CID 46287370
1-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine
CID 46287364
1-(cyclopropylmethyl)-4-(2-fluorophenyl)sulfonylpiperazine
CID 61046329
4-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonyl-3-methylaniline
CID 61116607
3-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]sulfonylbenzonitrile
CID 46287371
(3S)-1-(2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 79031477
(3R)-1-(2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291101
1-(2,2-dimethylpropyl)-4-(2-methylphenyl)sulfonylpiperazine
CID 110290792
4-methyl-1-[4-methyl-3-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperidine
CID 1087770

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[1-(2-methylphenyl)sulfonylpiperidin-4-yl]methyl]piperidine?
The IUPAC name of 4-methyl-1-[[1-(2-methylphenyl)sulfonylpiperidin-4-yl]methyl]piperidine (CID 46287345) is 4-methyl-1-[[1-(2-methylphenyl)sulfonylpiperidin-4-yl]methyl]piperidine.
What is the SMILES notation for 4-methyl-1-[[1-(2-methylphenyl)sulfonylpiperidin-4-yl]methyl]piperidine?
The canonical SMILES for 4-methyl-1-[[1-(2-methylphenyl)sulfonylpiperidin-4-yl]methyl]piperidine is Cc1ccccc1S(=O)(=O)N1CCC(CN2CCC(C)CC2)CC1.
What is the InChIKey of 4-methyl-1-[[1-(2-methylphenyl)sulfonylpiperidin-4-yl]methyl]piperidine?
The InChIKey is KTHIZZKIJBALDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2S/c1-16-7-11-20(12-8-16)15-18-9-13-21(14-10-18)24(22,23)19-6-4-3-5-17(19)2/h3-6,16,18H,7-15H2,1-2H3.
What are the key properties of 4-methyl-1-[[1-(2-methylphenyl)sulfonylpiperidin-4-yl]methyl]piperidine?
4-methyl-1-[[1-(2-methylphenyl)sulfonylpiperidin-4-yl]methyl]piperidine has a molecular weight of 350.53 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[1-(2-methylphenyl)sulfonylpiperidin-4-yl]methyl]piperidine is sourced from PubChem (CID 46287345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).