3-ethyl-1-naphthalen-1-ylsulfonylpiperidine

C17H21NO2S — CID 114795787

IUPAC3-ethyl-1-naphthalen-1-ylsulfonylpiperidine
SMILESCCC1CCCN(S(=O)(=O)c2cccc3ccccc23)C1
InChIInChI=1S/C17H21NO2S/c1-2-14-7-6-12-18(13-14)21(19,20)17-11-5-9-15-8-3-4-10-16(15)17/h3-5,8-11,14H,2,6-7,12-13H2,1H3
InChIKeyMLJURVMJVDAMHZ-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.65
Rot. Bonds3

About 3-ethyl-1-naphthalen-1-ylsulfonylpiperidine

3-ethyl-1-naphthalen-1-ylsulfonylpiperidine (PubChem CID 114795787) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is 3-ethyl-1-naphthalen-1-ylsulfonylpiperidine.

Molecular Properties

Compound Name3-ethyl-1-naphthalen-1-ylsulfonylpiperidine
PubChem CID114795787
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC Name3-ethyl-1-naphthalen-1-ylsulfonylpiperidine
SMILESCCC1CCCN(S(=O)(=O)c2cccc3ccccc23)C1
InChIInChI=1S/C17H21NO2S/c1-2-14-7-6-12-18(13-14)21(19,20)17-11-5-9-15-8-3-4-10-16(15)17/h3-5,8-11,14H,2,6-7,12-13H2,1H3
InChIKeyMLJURVMJVDAMHZ-UHFFFAOYSA-N
XLogP3.65
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)methanamine
CID 119961093
(1-naphthalen-1-ylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119968918
3-methoxy-1-naphthalen-1-ylsulfonylpiperidine
CID 103740922
N-methyl-1-naphthalen-1-ylsulfonylpiperidin-3-amine;hydrochloride
CID 120714484
5-(3-propylpiperidin-1-yl)sulfonylisoquinoline
CID 126780577
1-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)ethanamine;hydrochloride
CID 119984364
3-(2-chloroethyl)-1-naphthalen-1-ylsulfonylpyrrolidine
CID 114801891
N-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)propanamide
CID 71974641
3-(3-ethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine
CID 62146476
3-(1-methylpyrazol-3-yl)-1-naphthalen-1-ylsulfonylpiperidine
CID 121188695
3-bromo-4-methyl-1-naphthalen-1-ylsulfonylpiperidine
CID 102962673
5-ethyl-2-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)oxypyrimidine
CID 122268448

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-naphthalen-1-ylsulfonylpiperidine?
The IUPAC name of 3-ethyl-1-naphthalen-1-ylsulfonylpiperidine (CID 114795787) is 3-ethyl-1-naphthalen-1-ylsulfonylpiperidine.
What is the SMILES notation for 3-ethyl-1-naphthalen-1-ylsulfonylpiperidine?
The canonical SMILES for 3-ethyl-1-naphthalen-1-ylsulfonylpiperidine is CCC1CCCN(S(=O)(=O)c2cccc3ccccc23)C1.
What is the InChIKey of 3-ethyl-1-naphthalen-1-ylsulfonylpiperidine?
The InChIKey is MLJURVMJVDAMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-2-14-7-6-12-18(13-14)21(19,20)17-11-5-9-15-8-3-4-10-16(15)17/h3-5,8-11,14H,2,6-7,12-13H2,1H3.
What are the key properties of 3-ethyl-1-naphthalen-1-ylsulfonylpiperidine?
3-ethyl-1-naphthalen-1-ylsulfonylpiperidine has a molecular weight of 303.43 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-naphthalen-1-ylsulfonylpiperidine is sourced from PubChem (CID 114795787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).