(2R)-2-[2-(4-methylpiperidin-1-yl)ethyl]-1-naphthalen-1-ylsulfonylpiperidine

C23H32N2O2S — CID 10597140

IUPAC(2R)-2-[2-(4-methylpiperidin-1-yl)ethyl]-1-naphthalen-1-ylsulfonylpiperidine
SMILESCC1CCN(CC[C@H]2CCCCN2S(=O)(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C23H32N2O2S/c1-19-12-16-24(17-13-19)18-14-21-9-4-5-15-25(21)28(26,27)23-11-6-8-20-7-2-3-10-22(20)23/h2-3,6-8,10-11,19,21H,4-5,9,12-18H2,1H3/t21-/m1/s1
InChIKeyBDPXTGHWVMUJCT-OAQYLSRUSA-N
MW400.59 g/mol
LogP4.51
Rot. Bonds5

About (2R)-2-[2-(4-methylpiperidin-1-yl)ethyl]-1-naphthalen-1-ylsulfonylpiperidine

(2R)-2-[2-(4-methylpiperidin-1-yl)ethyl]-1-naphthalen-1-ylsulfonylpiperidine (PubChem CID 10597140) has the molecular formula C23H32N2O2S and a molecular weight of 400.59 g/mol. Its IUPAC name is (2R)-2-[2-(4-methylpiperidin-1-yl)ethyl]-1-naphthalen-1-ylsulfonylpiperidine.

Molecular Properties

Compound Name(2R)-2-[2-(4-methylpiperidin-1-yl)ethyl]-1-naphthalen-1-ylsulfonylpiperidine
PubChem CID10597140
Molecular FormulaC23H32N2O2S
Molecular Weight400.59 g/mol
Exact Mass400.22
IUPAC Name(2R)-2-[2-(4-methylpiperidin-1-yl)ethyl]-1-naphthalen-1-ylsulfonylpiperidine
SMILESCC1CCN(CC[C@H]2CCCCN2S(=O)(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C23H32N2O2S/c1-19-12-16-24(17-13-19)18-14-21-9-4-5-15-25(21)28(26,27)23-11-6-8-20-7-2-3-10-22(20)23/h2-3,6-8,10-11,19,21H,4-5,9,12-18H2,1H3/t21-/m1/s1
InChIKeyBDPXTGHWVMUJCT-OAQYLSRUSA-N
XLogP4.51
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.59
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1'-([1,1'-Biphenyl]-2-ylsulfonyl)-4-methyl-1,4'-bipiperidine
CID 118308394
1'-((4-Chloronaphthalen-1-yl)sulfonyl)-4-methyl-1,4'-bipiperidine
CID 118308428
4-Methyl-1-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)piperidine
CID 118314265
1-(1-Naphthylsulfonyl)piperidine
CID 962543
1-Naphthalen-2-ylsulfonylpiperidine
CID 764406
4-Methyl-1-(2-naphthylsulfonyl)piperidine
CID 767330
N-methyl-N-[(2R)-4-(4-methylpiperidin-1-yl)butan-2-yl]naphthalene-1-sulfonamide
CID 9820952
(R)-2-[2-(4-Methyl-piperidin-1-yl)ethyl]-1-(naphthalene-1-sulfonyl)pyrrolidine
CID 10249573
N-methyl-N-[(2R)-4-[(3R)-3-methylpiperidin-1-yl]butan-2-yl]naphthalene-1-sulfonamide
CID 10619437
N-methyl-N-[(2R)-4-[(3S)-3-methylpiperidin-1-yl]butan-2-yl]naphthalene-1-sulfonamide
CID 11793826
Naphthalene-1-sulfonic acid methyl-[1-methyl-3-(3-methyl-piperidin-1-yl)-propyl]-amide
CID 44268087
4-Phenyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine
CID 118308393

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(4-methylpiperidin-1-yl)ethyl]-1-naphthalen-1-ylsulfonylpiperidine?
The IUPAC name of (2R)-2-[2-(4-methylpiperidin-1-yl)ethyl]-1-naphthalen-1-ylsulfonylpiperidine (CID 10597140) is (2R)-2-[2-(4-methylpiperidin-1-yl)ethyl]-1-naphthalen-1-ylsulfonylpiperidine.
What is the SMILES notation for (2R)-2-[2-(4-methylpiperidin-1-yl)ethyl]-1-naphthalen-1-ylsulfonylpiperidine?
The canonical SMILES for (2R)-2-[2-(4-methylpiperidin-1-yl)ethyl]-1-naphthalen-1-ylsulfonylpiperidine is CC1CCN(CC[C@H]2CCCCN2S(=O)(=O)c2cccc3ccccc23)CC1.
What is the InChIKey of (2R)-2-[2-(4-methylpiperidin-1-yl)ethyl]-1-naphthalen-1-ylsulfonylpiperidine?
The InChIKey is BDPXTGHWVMUJCT-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H32N2O2S/c1-19-12-16-24(17-13-19)18-14-21-9-4-5-15-25(21)28(26,27)23-11-6-8-20-7-2-3-10-22(20)23/h2-3,6-8,10-11,19,21H,4-5,9,12-18H2,1H3/t21-/m1/s1.
What are the key properties of (2R)-2-[2-(4-methylpiperidin-1-yl)ethyl]-1-naphthalen-1-ylsulfonylpiperidine?
(2R)-2-[2-(4-methylpiperidin-1-yl)ethyl]-1-naphthalen-1-ylsulfonylpiperidine has a molecular weight of 400.59 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(4-methylpiperidin-1-yl)ethyl]-1-naphthalen-1-ylsulfonylpiperidine is sourced from PubChem (CID 10597140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).