1-(4-azidophenyl)sulfonyl-3,5-dimethylpiperidine

C13H18N4O2S — CID 151718786

IUPAC1-(4-azidophenyl)sulfonyl-3,5-dimethylpiperidine
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc(N=[N+]=[N-])cc2)C1
InChIInChI=1S/C13H18N4O2S/c1-10-7-11(2)9-17(8-10)20(18,19)13-5-3-12(4-6-13)15-16-14/h3-6,10-11H,7-9H2,1-2H3
InChIKeyRIDAJGTUGAQUFN-UHFFFAOYSA-N
MW294.38 g/mol
LogP3.30
Rot. Bonds3

About 1-(4-azidophenyl)sulfonyl-3,5-dimethylpiperidine

1-(4-azidophenyl)sulfonyl-3,5-dimethylpiperidine (PubChem CID 151718786) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 1-(4-azidophenyl)sulfonyl-3,5-dimethylpiperidine.

Molecular Properties

Compound Name1-(4-azidophenyl)sulfonyl-3,5-dimethylpiperidine
PubChem CID151718786
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name1-(4-azidophenyl)sulfonyl-3,5-dimethylpiperidine
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc(N=[N+]=[N-])cc2)C1
InChIInChI=1S/C13H18N4O2S/c1-10-7-11(2)9-17(8-10)20(18,19)13-5-3-12(4-6-13)15-16-14/h3-6,10-11H,7-9H2,1-2H3
InChIKeyRIDAJGTUGAQUFN-UHFFFAOYSA-N
XLogP3.30
TPSA86.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-(4-tert-butylphenyl)sulfonyl-3,5-dimethylpiperidine
CID 2950793
3,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine
CID 3769436
4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzenesulfonyl chloride
CID 50987777
4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzenesulfonamide
CID 94176618
(3R,5R)-1-(4-fluorophenyl)sulfonyl-3,5-dimethylpiperidine
CID 755984
3,5-dimethyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
CID 17441399
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate
CID 2049561
(3R,5R)-3,5-dimethyl-1-(4-phenylphenyl)sulfonylpiperidine
CID 902590
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoyl chloride
CID 7109677
(3S,5S)-3,5-dimethyl-1-(4-propoxyphenyl)sulfonylpiperidine
CID 2294126
(3R,5S)-1-[[7-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-9,10-dinitroso-9,10-dihydroanthracen-2-yl]sulfonyl]-3,5-dimethylpiperidine
CID 91193182
(3R,5S)-5-methyl-1-(4-methylphenyl)sulfonylpiperidin-3-ol
CID 135044550

Frequently Asked Questions

What is the IUPAC name of 1-(4-azidophenyl)sulfonyl-3,5-dimethylpiperidine?
The IUPAC name of 1-(4-azidophenyl)sulfonyl-3,5-dimethylpiperidine (CID 151718786) is 1-(4-azidophenyl)sulfonyl-3,5-dimethylpiperidine.
What is the SMILES notation for 1-(4-azidophenyl)sulfonyl-3,5-dimethylpiperidine?
The canonical SMILES for 1-(4-azidophenyl)sulfonyl-3,5-dimethylpiperidine is CC1CC(C)CN(S(=O)(=O)c2ccc(N=[N+]=[N-])cc2)C1.
What is the InChIKey of 1-(4-azidophenyl)sulfonyl-3,5-dimethylpiperidine?
The InChIKey is RIDAJGTUGAQUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-10-7-11(2)9-17(8-10)20(18,19)13-5-3-12(4-6-13)15-16-14/h3-6,10-11H,7-9H2,1-2H3.
What are the key properties of 1-(4-azidophenyl)sulfonyl-3,5-dimethylpiperidine?
1-(4-azidophenyl)sulfonyl-3,5-dimethylpiperidine has a molecular weight of 294.38 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-azidophenyl)sulfonyl-3,5-dimethylpiperidine is sourced from PubChem (CID 151718786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).