(2R)-1-(4-ethoxynaphthalen-1-yl)sulfonyl-2-methylpiperidine

C18H23NO3S — CID 760946

IUPAC(2R)-1-(4-ethoxynaphthalen-1-yl)sulfonyl-2-methylpiperidine
SMILESCCOc1ccc(S(=O)(=O)N2CCCC[C@H]2C)c2ccccc12
InChIInChI=1S/C18H23NO3S/c1-3-22-17-11-12-18(16-10-5-4-9-15(16)17)23(20,21)19-13-7-6-8-14(19)2/h4-5,9-12,14H,3,6-8,13H2,1-2H3/t14-/m1/s1
InChIKeyCLYPHKWGOSSFIF-CQSZACIVSA-N
MW333.45 g/mol
LogP3.80
Rot. Bonds4

About (2R)-1-(4-ethoxynaphthalen-1-yl)sulfonyl-2-methylpiperidine

(2R)-1-(4-ethoxynaphthalen-1-yl)sulfonyl-2-methylpiperidine (PubChem CID 760946) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is (2R)-1-(4-ethoxynaphthalen-1-yl)sulfonyl-2-methylpiperidine.

Molecular Properties

Compound Name(2R)-1-(4-ethoxynaphthalen-1-yl)sulfonyl-2-methylpiperidine
PubChem CID760946
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC Name(2R)-1-(4-ethoxynaphthalen-1-yl)sulfonyl-2-methylpiperidine
SMILESCCOc1ccc(S(=O)(=O)N2CCCC[C@H]2C)c2ccccc12
InChIInChI=1S/C18H23NO3S/c1-3-22-17-11-12-18(16-10-5-4-9-15(16)17)23(20,21)19-13-7-6-8-14(19)2/h4-5,9-12,14H,3,6-8,13H2,1-2H3/t14-/m1/s1
InChIKeyCLYPHKWGOSSFIF-CQSZACIVSA-N
XLogP3.80
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,6S)-1-(4-ethoxynaphthalen-1-yl)sulfonyl-2,6-dimethylpiperidine
CID 748027
[1-(4-ethoxynaphthalen-1-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988979
1-[1-(4-ethoxynaphthalen-1-yl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119975042
(2R)-1-(4-ethoxyphenyl)sulfonyl-2-methylpiperidine
CID 847002
1-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-2-methylpyrrolidine
CID 110728256
N-cyclobutyl-4-ethoxynaphthalene-1-sulfonamide
CID 172880543
N-methylmethanamine;1-methyl-5-(2-methylpiperidin-1-yl)sulfonylisoquinoline
CID 159404328
(2R)-1-(4-methoxynaphthalen-1-yl)sulfonylpiperidine-2-carboxamide
CID 39632861
(2R)-1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-2-methylpiperidine
CID 802910
2-ethoxy-5-[(2R)-2-methylpiperidin-1-yl]sulfonylpyridine
CID 97348801
1-chloro-5-(2-methylpiperidin-1-yl)sulfonylisoquinoline;methylcyclohexane
CID 159397606
2-[1-[2,5-diethoxy-4-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperidin-4-yl]-1,3-benzothiazole
CID 3223516

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-ethoxynaphthalen-1-yl)sulfonyl-2-methylpiperidine?
The IUPAC name of (2R)-1-(4-ethoxynaphthalen-1-yl)sulfonyl-2-methylpiperidine (CID 760946) is (2R)-1-(4-ethoxynaphthalen-1-yl)sulfonyl-2-methylpiperidine.
What is the SMILES notation for (2R)-1-(4-ethoxynaphthalen-1-yl)sulfonyl-2-methylpiperidine?
The canonical SMILES for (2R)-1-(4-ethoxynaphthalen-1-yl)sulfonyl-2-methylpiperidine is CCOc1ccc(S(=O)(=O)N2CCCC[C@H]2C)c2ccccc12.
What is the InChIKey of (2R)-1-(4-ethoxynaphthalen-1-yl)sulfonyl-2-methylpiperidine?
The InChIKey is CLYPHKWGOSSFIF-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23NO3S/c1-3-22-17-11-12-18(16-10-5-4-9-15(16)17)23(20,21)19-13-7-6-8-14(19)2/h4-5,9-12,14H,3,6-8,13H2,1-2H3/t14-/m1/s1.
What are the key properties of (2R)-1-(4-ethoxynaphthalen-1-yl)sulfonyl-2-methylpiperidine?
(2R)-1-(4-ethoxynaphthalen-1-yl)sulfonyl-2-methylpiperidine has a molecular weight of 333.45 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-ethoxynaphthalen-1-yl)sulfonyl-2-methylpiperidine is sourced from PubChem (CID 760946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).