4-methyl-1-[2-[(2S)-1-naphthalen-1-ylsulfonylpyrrolidin-2-yl]ethyl]piperidine

C22H30N2O2S — CID 10596321

IUPAC4-methyl-1-[2-[(2S)-1-naphthalen-1-ylsulfonylpyrrolidin-2-yl]ethyl]piperidine
SMILESCC1CCN(CC[C@@H]2CCCN2S(=O)(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C22H30N2O2S/c1-18-11-15-23(16-12-18)17-13-20-8-5-14-24(20)27(25,26)22-10-4-7-19-6-2-3-9-21(19)22/h2-4,6-7,9-10,18,20H,5,8,11-17H2,1H3/t20-/m0/s1
InChIKeyVCFMMDVFGUQTHR-FQEVSTJZSA-N
MW386.56 g/mol
LogP4.11
Rot. Bonds5

About 4-methyl-1-[2-[(2S)-1-naphthalen-1-ylsulfonylpyrrolidin-2-yl]ethyl]piperidine

4-methyl-1-[2-[(2S)-1-naphthalen-1-ylsulfonylpyrrolidin-2-yl]ethyl]piperidine (PubChem CID 10596321) has the molecular formula C22H30N2O2S and a molecular weight of 386.56 g/mol. Its IUPAC name is 4-methyl-1-[2-[(2S)-1-naphthalen-1-ylsulfonylpyrrolidin-2-yl]ethyl]piperidine.

Molecular Properties

Compound Name4-methyl-1-[2-[(2S)-1-naphthalen-1-ylsulfonylpyrrolidin-2-yl]ethyl]piperidine
PubChem CID10596321
Molecular FormulaC22H30N2O2S
Molecular Weight386.56 g/mol
Exact Mass386.20
IUPAC Name4-methyl-1-[2-[(2S)-1-naphthalen-1-ylsulfonylpyrrolidin-2-yl]ethyl]piperidine
SMILESCC1CCN(CC[C@@H]2CCCN2S(=O)(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C22H30N2O2S/c1-18-11-15-23(16-12-18)17-13-20-8-5-14-24(20)27(25,26)22-10-4-7-19-6-2-3-9-21(19)22/h2-4,6-7,9-10,18,20H,5,8,11-17H2,1H3/t20-/m0/s1
InChIKeyVCFMMDVFGUQTHR-FQEVSTJZSA-N
XLogP4.11
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-[(2S)-1-naphthalen-1-ylsulfonylpyrrolidin-2-yl]ethyl]piperidine?
The IUPAC name of 4-methyl-1-[2-[(2S)-1-naphthalen-1-ylsulfonylpyrrolidin-2-yl]ethyl]piperidine (CID 10596321) is 4-methyl-1-[2-[(2S)-1-naphthalen-1-ylsulfonylpyrrolidin-2-yl]ethyl]piperidine.
What is the SMILES notation for 4-methyl-1-[2-[(2S)-1-naphthalen-1-ylsulfonylpyrrolidin-2-yl]ethyl]piperidine?
The canonical SMILES for 4-methyl-1-[2-[(2S)-1-naphthalen-1-ylsulfonylpyrrolidin-2-yl]ethyl]piperidine is CC1CCN(CC[C@@H]2CCCN2S(=O)(=O)c2cccc3ccccc23)CC1.
What is the InChIKey of 4-methyl-1-[2-[(2S)-1-naphthalen-1-ylsulfonylpyrrolidin-2-yl]ethyl]piperidine?
The InChIKey is VCFMMDVFGUQTHR-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H30N2O2S/c1-18-11-15-23(16-12-18)17-13-20-8-5-14-24(20)27(25,26)22-10-4-7-19-6-2-3-9-21(19)22/h2-4,6-7,9-10,18,20H,5,8,11-17H2,1H3/t20-/m0/s1.
What are the key properties of 4-methyl-1-[2-[(2S)-1-naphthalen-1-ylsulfonylpyrrolidin-2-yl]ethyl]piperidine?
4-methyl-1-[2-[(2S)-1-naphthalen-1-ylsulfonylpyrrolidin-2-yl]ethyl]piperidine has a molecular weight of 386.56 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-[(2S)-1-naphthalen-1-ylsulfonylpyrrolidin-2-yl]ethyl]piperidine is sourced from PubChem (CID 10596321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).