1-(4-fluoro-2-methylphenyl)sulfonyl-4,4-dimethylpiperidine

C14H20FNO2S — CID 110738659

IUPAC1-(4-fluoro-2-methylphenyl)sulfonyl-4,4-dimethylpiperidine
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCC(C)(C)CC1
InChIInChI=1S/C14H20FNO2S/c1-11-10-12(15)4-5-13(11)19(17,18)16-8-6-14(2,3)7-9-16/h4-5,10H,6-9H2,1-3H3
InChIKeyFYZTXNLMUGQOID-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.94
Rot. Bonds2

About 1-(4-fluoro-2-methylphenyl)sulfonyl-4,4-dimethylpiperidine

1-(4-fluoro-2-methylphenyl)sulfonyl-4,4-dimethylpiperidine (PubChem CID 110738659) has the molecular formula C14H20FNO2S and a molecular weight of 285.38 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)sulfonyl-4,4-dimethylpiperidine.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)sulfonyl-4,4-dimethylpiperidine
PubChem CID110738659
Molecular FormulaC14H20FNO2S
Molecular Weight285.38 g/mol
Exact Mass285.12
IUPAC Name1-(4-fluoro-2-methylphenyl)sulfonyl-4,4-dimethylpiperidine
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCC(C)(C)CC1
InChIInChI=1S/C14H20FNO2S/c1-11-10-12(15)4-5-13(11)19(17,18)16-8-6-14(2,3)7-9-16/h4-5,10H,6-9H2,1-3H3
InChIKeyFYZTXNLMUGQOID-UHFFFAOYSA-N
XLogP2.94
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-bis[(4-fluoro-2-methylphenyl)sulfonyl]-1,4-diazepane
CID 52559280
[1-(4-fluoro-2-methylphenyl)sulfonyl-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777543
9-(4-fluoro-2-methylphenyl)sulfonyl-2-methyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72863038
1-(4-fluoro-2-methylphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120779305
1-(4-fluoro-2-methylphenyl)sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine
CID 46633054
4-(4,4-dimethylpiperidin-1-yl)sulfonyl-3-methylbenzenecarbothioamide
CID 106998142
1-(4-fluoro-2-methylphenyl)sulfonyl-1,4-diazepan-5-one
CID 30668162
1-(4-fluoro-2-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine
CID 113072902
3-ethyl-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63149357
1-(2-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81103524
(3R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-amine
CID 93274616
methyl 4-(4-fluoro-2-methylphenyl)sulfonylpiperazine-1-carboxylate
CID 110818500

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)sulfonyl-4,4-dimethylpiperidine?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)sulfonyl-4,4-dimethylpiperidine (CID 110738659) is 1-(4-fluoro-2-methylphenyl)sulfonyl-4,4-dimethylpiperidine.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)sulfonyl-4,4-dimethylpiperidine?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)sulfonyl-4,4-dimethylpiperidine is Cc1cc(F)ccc1S(=O)(=O)N1CCC(C)(C)CC1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)sulfonyl-4,4-dimethylpiperidine?
The InChIKey is FYZTXNLMUGQOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2S/c1-11-10-12(15)4-5-13(11)19(17,18)16-8-6-14(2,3)7-9-16/h4-5,10H,6-9H2,1-3H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)sulfonyl-4,4-dimethylpiperidine?
1-(4-fluoro-2-methylphenyl)sulfonyl-4,4-dimethylpiperidine has a molecular weight of 285.38 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)sulfonyl-4,4-dimethylpiperidine is sourced from PubChem (CID 110738659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).