1-(benzenesulfonyl)-4,4-dimethylpiperidine

C13H19NO2S — CID 58376409

IUPAC1-(benzenesulfonyl)-4,4-dimethylpiperidine
SMILESCC1(C)CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C13H19NO2S/c1-13(2)8-10-14(11-9-13)17(15,16)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3
InChIKeyWICWEVUNFBJOIS-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.50
Rot. Bonds2

About 1-(benzenesulfonyl)-4,4-dimethylpiperidine

1-(benzenesulfonyl)-4,4-dimethylpiperidine (PubChem CID 58376409) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4,4-dimethylpiperidine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4,4-dimethylpiperidine
PubChem CID58376409
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name1-(benzenesulfonyl)-4,4-dimethylpiperidine
SMILESCC1(C)CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C13H19NO2S/c1-13(2)8-10-14(11-9-13)17(15,16)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3
InChIKeyWICWEVUNFBJOIS-UHFFFAOYSA-N
XLogP2.50
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 13427462
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CID 107407045
1-(benzenesulfonyl)-4-methylpiperidine
CID 761422
2-(4,4-dimethylpiperidin-1-yl)sulfonylphenol
CID 81245578
7-(benzenesulfonyl)-2-oxa-7-azaspiro[3.5]nonane
CID 97399392
4,4-dimethyl-1-(3-nitrophenyl)sulfonylpiperidine
CID 110738697
2-(4,4-dimethylpiperidin-1-yl)sulfonylbenzenesulfonamide
CID 62929979
1-(2-bromophenyl)sulfonyl-4,4-dimethylpiperidine
CID 62922388
3-(benzenesulfonyl)-3,9-diazaspiro[5.5]undecane;hydrochloride
CID 155843749
9-(benzenesulfonyl)-2-methyl-2,9-diazaspiro[5.5]undecane
CID 3233376
[1-(benzenesulfonyl)-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777513

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4,4-dimethylpiperidine?
The IUPAC name of 1-(benzenesulfonyl)-4,4-dimethylpiperidine (CID 58376409) is 1-(benzenesulfonyl)-4,4-dimethylpiperidine.
What is the SMILES notation for 1-(benzenesulfonyl)-4,4-dimethylpiperidine?
The canonical SMILES for 1-(benzenesulfonyl)-4,4-dimethylpiperidine is CC1(C)CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-4,4-dimethylpiperidine?
The InChIKey is WICWEVUNFBJOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-13(2)8-10-14(11-9-13)17(15,16)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3.
What are the key properties of 1-(benzenesulfonyl)-4,4-dimethylpiperidine?
1-(benzenesulfonyl)-4,4-dimethylpiperidine has a molecular weight of 253.37 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4,4-dimethylpiperidine is sourced from PubChem (CID 58376409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).