(3R)-3-methyl-1-[[1-(3-methylphenyl)sulfonylpiperidin-4-yl]methyl]piperidine

C19H30N2O2S — CID 92865689

IUPAC(3R)-3-methyl-1-[[1-(3-methylphenyl)sulfonylpiperidin-4-yl]methyl]piperidine
SMILESCc1cccc(S(=O)(=O)N2CCC(CN3CCC[C@@H](C)C3)CC2)c1
InChIInChI=1S/C19H30N2O2S/c1-16-5-3-7-19(13-16)24(22,23)21-11-8-18(9-12-21)15-20-10-4-6-17(2)14-20/h3,5,7,13,17-18H,4,6,8-12,14-15H2,1-2H3/t17-/m1/s1
InChIKeyGPNXZHFNSXMFBK-QGZVFWFLSA-N
MW350.53 g/mol
LogP3.13
Rot. Bonds4

About (3R)-3-methyl-1-[[1-(3-methylphenyl)sulfonylpiperidin-4-yl]methyl]piperidine

(3R)-3-methyl-1-[[1-(3-methylphenyl)sulfonylpiperidin-4-yl]methyl]piperidine (PubChem CID 92865689) has the molecular formula C19H30N2O2S and a molecular weight of 350.53 g/mol. Its IUPAC name is (3R)-3-methyl-1-[[1-(3-methylphenyl)sulfonylpiperidin-4-yl]methyl]piperidine.

Molecular Properties

Compound Name(3R)-3-methyl-1-[[1-(3-methylphenyl)sulfonylpiperidin-4-yl]methyl]piperidine
PubChem CID92865689
Molecular FormulaC19H30N2O2S
Molecular Weight350.53 g/mol
Exact Mass350.20
IUPAC Name(3R)-3-methyl-1-[[1-(3-methylphenyl)sulfonylpiperidin-4-yl]methyl]piperidine
SMILESCc1cccc(S(=O)(=O)N2CCC(CN3CCC[C@@H](C)C3)CC2)c1
InChIInChI=1S/C19H30N2O2S/c1-16-5-3-7-19(13-16)24(22,23)21-11-8-18(9-12-21)15-20-10-4-6-17(2)14-20/h3,5,7,13,17-18H,4,6,8-12,14-15H2,1-2H3/t17-/m1/s1
InChIKeyGPNXZHFNSXMFBK-QGZVFWFLSA-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

1-[[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine
CID 46287422
1-(cyclopropylmethyl)-4-(3-methylphenyl)sulfonylpiperazine
CID 110708713
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)-3-methyl-1-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methyl]piperidine
CID 92865643
(3R)-1-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine
CID 92865667
4-[3-[(3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 18135081
1-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine
CID 46287364
[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62370440
4-[4-[[(3S)-3-methylpiperidin-1-yl]methyl]piperidin-1-yl]sulfonyl-2,1,3-benzothiadiazole
CID 92501464
3-(bromomethyl)-1-(3-methylphenyl)sulfonylpiperidine
CID 80675902

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1-[[1-(3-methylphenyl)sulfonylpiperidin-4-yl]methyl]piperidine?
The IUPAC name of (3R)-3-methyl-1-[[1-(3-methylphenyl)sulfonylpiperidin-4-yl]methyl]piperidine (CID 92865689) is (3R)-3-methyl-1-[[1-(3-methylphenyl)sulfonylpiperidin-4-yl]methyl]piperidine.
What is the SMILES notation for (3R)-3-methyl-1-[[1-(3-methylphenyl)sulfonylpiperidin-4-yl]methyl]piperidine?
The canonical SMILES for (3R)-3-methyl-1-[[1-(3-methylphenyl)sulfonylpiperidin-4-yl]methyl]piperidine is Cc1cccc(S(=O)(=O)N2CCC(CN3CCC[C@@H](C)C3)CC2)c1.
What is the InChIKey of (3R)-3-methyl-1-[[1-(3-methylphenyl)sulfonylpiperidin-4-yl]methyl]piperidine?
The InChIKey is GPNXZHFNSXMFBK-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H30N2O2S/c1-16-5-3-7-19(13-16)24(22,23)21-11-8-18(9-12-21)15-20-10-4-6-17(2)14-20/h3,5,7,13,17-18H,4,6,8-12,14-15H2,1-2H3/t17-/m1/s1.
What are the key properties of (3R)-3-methyl-1-[[1-(3-methylphenyl)sulfonylpiperidin-4-yl]methyl]piperidine?
(3R)-3-methyl-1-[[1-(3-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 (3R)-3-methyl-1-[[1-(3-methylphenyl)sulfonylpiperidin-4-yl]methyl]piperidine is sourced from PubChem (CID 92865689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).