(2S)-1-(4-fluoro-2-methoxyphenyl)sulfonyl-2-methylpiperidine

C13H18FNO3S — CID 870139

IUPAC(2S)-1-(4-fluoro-2-methoxyphenyl)sulfonyl-2-methylpiperidine
SMILESCOc1cc(F)ccc1S(=O)(=O)N1CCCC[C@@H]1C
InChIInChI=1S/C13H18FNO3S/c1-10-5-3-4-8-15(10)19(16,17)13-7-6-11(14)9-12(13)18-2/h6-7,9-10H,3-5,8H2,1-2H3/t10-/m0/s1
InChIKeyZOBDQUJUNISUSP-JTQLQIEISA-N
MW287.36 g/mol
LogP2.40
Rot. Bonds3

About (2S)-1-(4-fluoro-2-methoxyphenyl)sulfonyl-2-methylpiperidine

(2S)-1-(4-fluoro-2-methoxyphenyl)sulfonyl-2-methylpiperidine (PubChem CID 870139) has the molecular formula C13H18FNO3S and a molecular weight of 287.36 g/mol. Its IUPAC name is (2S)-1-(4-fluoro-2-methoxyphenyl)sulfonyl-2-methylpiperidine.

Molecular Properties

Compound Name(2S)-1-(4-fluoro-2-methoxyphenyl)sulfonyl-2-methylpiperidine
PubChem CID870139
Molecular FormulaC13H18FNO3S
Molecular Weight287.36 g/mol
Exact Mass287.10
IUPAC Name(2S)-1-(4-fluoro-2-methoxyphenyl)sulfonyl-2-methylpiperidine
SMILESCOc1cc(F)ccc1S(=O)(=O)N1CCCC[C@@H]1C
InChIInChI=1S/C13H18FNO3S/c1-10-5-3-4-8-15(10)19(16,17)13-7-6-11(14)9-12(13)18-2/h6-7,9-10H,3-5,8H2,1-2H3/t10-/m0/s1
InChIKeyZOBDQUJUNISUSP-JTQLQIEISA-N
XLogP2.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethoxyphenyl)sulfonyl-2-methylpiperidine
CID 19682578
1-(5-methoxy-2,4-dimethylphenyl)sulfonyl-2-methylpiperidine
CID 66485991
4-fluoro-2-(2-methylazepan-1-yl)sulfonylbenzoic acid
CID 102919549
N-(2-chloro-4-fluorophenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 43009763
2,4-dimethoxy-5-(2-methylpyrrolidin-1-yl)sulfonylaniline
CID 102945935
1-(2-methoxy-5-nitrophenyl)sulfonyl-2-methylpiperidine
CID 46633525
1-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonyl-2-methylpiperidine
CID 3840038
4-fluoro-2-(2-methylpyrrolidin-1-yl)sulfonylbenzoic acid
CID 102919474
(2S)-1-(4-bromo-3-methoxyphenyl)sulfonyl-2-methylpiperidine
CID 2239887
(2R)-1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-2-methylpiperidine
CID 802910
(2-methoxyphenyl) 4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 8778455
1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine
CID 60974394

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-fluoro-2-methoxyphenyl)sulfonyl-2-methylpiperidine?
The IUPAC name of (2S)-1-(4-fluoro-2-methoxyphenyl)sulfonyl-2-methylpiperidine (CID 870139) is (2S)-1-(4-fluoro-2-methoxyphenyl)sulfonyl-2-methylpiperidine.
What is the SMILES notation for (2S)-1-(4-fluoro-2-methoxyphenyl)sulfonyl-2-methylpiperidine?
The canonical SMILES for (2S)-1-(4-fluoro-2-methoxyphenyl)sulfonyl-2-methylpiperidine is COc1cc(F)ccc1S(=O)(=O)N1CCCC[C@@H]1C.
What is the InChIKey of (2S)-1-(4-fluoro-2-methoxyphenyl)sulfonyl-2-methylpiperidine?
The InChIKey is ZOBDQUJUNISUSP-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18FNO3S/c1-10-5-3-4-8-15(10)19(16,17)13-7-6-11(14)9-12(13)18-2/h6-7,9-10H,3-5,8H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-1-(4-fluoro-2-methoxyphenyl)sulfonyl-2-methylpiperidine?
(2S)-1-(4-fluoro-2-methoxyphenyl)sulfonyl-2-methylpiperidine has a molecular weight of 287.36 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-fluoro-2-methoxyphenyl)sulfonyl-2-methylpiperidine is sourced from PubChem (CID 870139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).