1-benzylsulfonyl-3,5-dimethylpiperidine

C14H21NO2S — CID 3113494

IUPAC1-benzylsulfonyl-3,5-dimethylpiperidine
SMILESCC1CC(C)CN(S(=O)(=O)Cc2ccccc2)C1
InChIInChI=1S/C14H21NO2S/c1-12-8-13(2)10-15(9-12)18(16,17)11-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3
InChIKeyXAIJIYBFEHXESM-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.49
Rot. Bonds3

About 1-benzylsulfonyl-3,5-dimethylpiperidine

1-benzylsulfonyl-3,5-dimethylpiperidine (PubChem CID 3113494) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 1-benzylsulfonyl-3,5-dimethylpiperidine.

Molecular Properties

Compound Name1-benzylsulfonyl-3,5-dimethylpiperidine
PubChem CID3113494
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name1-benzylsulfonyl-3,5-dimethylpiperidine
SMILESCC1CC(C)CN(S(=O)(=O)Cc2ccccc2)C1
InChIInChI=1S/C14H21NO2S/c1-12-8-13(2)10-15(9-12)18(16,17)11-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3
InChIKeyXAIJIYBFEHXESM-UHFFFAOYSA-N
XLogP2.49
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-benzylsulfonyl-1,2,6-trimethylpiperazine
CID 110662416
4-benzylsulfonyl-2,6-dimethyl-1-phenylpiperazine
CID 110602284
1-[(2-chlorophenyl)methylsulfonyl]-3,5-dimethylpiperidine
CID 17257572
4-benzylsulfonyl-1,2-dimethylpiperazine
CID 110707686
4-benzylsulfonyl-2-methyl-1-phenylpiperazine
CID 110658074
1-benzylsulfonyl-3-methylpiperazine
CID 65449944
5-methyl-1-(naphthalen-2-ylmethylsulfonyl)piperidine-3-carboxylic acid
CID 122105974
1-benzylsulfonyl-3-methylpiperidin-4-ol
CID 114501633
1-benzyl-4-[(4-chlorophenyl)methylsulfonyl]-2,6-dimethylpiperazine
CID 110393938
3-[(3,5-dimethylpiperidin-1-yl)sulfonylmethyl]-1,2-benzoxazole
CID 90624410
(3S,5S)-1-(4-benzylpiperidin-1-yl)sulfonyl-3,5-dimethylpiperidine
CID 39977519
4-benzylsulfonylpiperazine-1-carbaldehyde
CID 3750884

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-3,5-dimethylpiperidine?
The IUPAC name of 1-benzylsulfonyl-3,5-dimethylpiperidine (CID 3113494) is 1-benzylsulfonyl-3,5-dimethylpiperidine.
What is the SMILES notation for 1-benzylsulfonyl-3,5-dimethylpiperidine?
The canonical SMILES for 1-benzylsulfonyl-3,5-dimethylpiperidine is CC1CC(C)CN(S(=O)(=O)Cc2ccccc2)C1.
What is the InChIKey of 1-benzylsulfonyl-3,5-dimethylpiperidine?
The InChIKey is XAIJIYBFEHXESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-12-8-13(2)10-15(9-12)18(16,17)11-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3.
What are the key properties of 1-benzylsulfonyl-3,5-dimethylpiperidine?
1-benzylsulfonyl-3,5-dimethylpiperidine has a molecular weight of 267.39 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-3,5-dimethylpiperidine is sourced from PubChem (CID 3113494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).