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

C23H32N2O2S — CID 10715998

IUPAC(2S)-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-/m0/s1
InChIKeyBDPXTGHWVMUJCT-NRFANRHFSA-N
MW400.59 g/mol
LogP4.51
Rot. Bonds5

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

(2S)-2-[2-(4-methylpiperidin-1-yl)ethyl]-1-naphthalen-1-ylsulfonylpiperidine (PubChem CID 10715998) has the molecular formula C23H32N2O2S and a molecular weight of 400.59 g/mol. Its IUPAC name is (2S)-2-[2-(4-methylpiperidin-1-yl)ethyl]-1-naphthalen-1-ylsulfonylpiperidine.

Molecular Properties

Compound Name(2S)-2-[2-(4-methylpiperidin-1-yl)ethyl]-1-naphthalen-1-ylsulfonylpiperidine
PubChem CID10715998
Molecular FormulaC23H32N2O2S
Molecular Weight400.59 g/mol
Exact Mass400.22
IUPAC Name(2S)-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-/m0/s1
InChIKeyBDPXTGHWVMUJCT-NRFANRHFSA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(4-methylpiperidin-1-yl)ethyl]-1-naphthalen-1-ylsulfonylpiperidine?
The IUPAC name of (2S)-2-[2-(4-methylpiperidin-1-yl)ethyl]-1-naphthalen-1-ylsulfonylpiperidine (CID 10715998) is (2S)-2-[2-(4-methylpiperidin-1-yl)ethyl]-1-naphthalen-1-ylsulfonylpiperidine.
What is the SMILES notation for (2S)-2-[2-(4-methylpiperidin-1-yl)ethyl]-1-naphthalen-1-ylsulfonylpiperidine?
The canonical SMILES for (2S)-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 (2S)-2-[2-(4-methylpiperidin-1-yl)ethyl]-1-naphthalen-1-ylsulfonylpiperidine?
The InChIKey is BDPXTGHWVMUJCT-NRFANRHFSA-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-/m0/s1.
What are the key properties of (2S)-2-[2-(4-methylpiperidin-1-yl)ethyl]-1-naphthalen-1-ylsulfonylpiperidine?
(2S)-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 (2S)-2-[2-(4-methylpiperidin-1-yl)ethyl]-1-naphthalen-1-ylsulfonylpiperidine is sourced from PubChem (CID 10715998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).