3,5-dimethylidene-1-(4-methylphenyl)sulfonylpiperidine

C14H17NO2S — CID 14174967

IUPAC3,5-dimethylidene-1-(4-methylphenyl)sulfonylpiperidine
SMILESC=C1CC(=C)CN(S(=O)(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C14H17NO2S/c1-11-4-6-14(7-5-11)18(16,17)15-9-12(2)8-13(3)10-15/h4-7H,2-3,8-10H2,1H3
InChIKeyBBXJZFJHKRJVHD-UHFFFAOYSA-N
MW263.36 g/mol
LogP2.50
Rot. Bonds2

About 3,5-dimethylidene-1-(4-methylphenyl)sulfonylpiperidine

3,5-dimethylidene-1-(4-methylphenyl)sulfonylpiperidine (PubChem CID 14174967) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is 3,5-dimethylidene-1-(4-methylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name3,5-dimethylidene-1-(4-methylphenyl)sulfonylpiperidine
PubChem CID14174967
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name3,5-dimethylidene-1-(4-methylphenyl)sulfonylpiperidine
SMILESC=C1CC(=C)CN(S(=O)(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C14H17NO2S/c1-11-4-6-14(7-5-11)18(16,17)15-9-12(2)8-13(3)10-15/h4-7H,2-3,8-10H2,1H3
InChIKeyBBXJZFJHKRJVHD-UHFFFAOYSA-N
XLogP2.50
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-methyl-4-[4-methyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole
CID 102578903
10,23,28,34-tetrakis-(4-methylphenyl)sulfonyl-10,23,28,34-tetrazaheptacyclo[17.7.3.36,14.13,25.14,8.112,16.117,21]hexatriaconta-1,3(30),4(36),5,7,12,14,16(32),17(31),18,20,25-dodecaene
CID 100934368
6-bromo-4-methoxy-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole
CID 19358371
1-(4-methylphenyl)sulfonyl-azacycloundecane
CID 12715310
2,6-bis-(4-methylphenyl)sulfonyl-2,6-diazaspiro[3.3]heptane
CID 44829122
1-[7-methylidene-5,9-bis-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododec-1-yl]propan-1-one
CID 11663956
1-methyl-4,7,10-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane
CID 12035988
(3E,5E)-3,5-bis[(4-methylphenyl)methylidene]-1-(4-methylphenyl)sulfonylpiperidin-4-one
CID 73050935
(2Z,5Z,8Z)-1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7-triazonine
CID 12599640
4-cyclopropylidene-1-(4-methylphenyl)sulfonylpiperidine
CID 121187247
1-ethylsulfonyl-4-(4-methylphenyl)sulfonylpiperazine
CID 719622
(3Z,7Z)-1-(4-methylphenyl)sulfonyl-2,5,6,9-tetrahydroazonine
CID 101406646

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethylidene-1-(4-methylphenyl)sulfonylpiperidine?
The IUPAC name of 3,5-dimethylidene-1-(4-methylphenyl)sulfonylpiperidine (CID 14174967) is 3,5-dimethylidene-1-(4-methylphenyl)sulfonylpiperidine.
What is the SMILES notation for 3,5-dimethylidene-1-(4-methylphenyl)sulfonylpiperidine?
The canonical SMILES for 3,5-dimethylidene-1-(4-methylphenyl)sulfonylpiperidine is C=C1CC(=C)CN(S(=O)(=O)c2ccc(C)cc2)C1.
What is the InChIKey of 3,5-dimethylidene-1-(4-methylphenyl)sulfonylpiperidine?
The InChIKey is BBXJZFJHKRJVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-11-4-6-14(7-5-11)18(16,17)15-9-12(2)8-13(3)10-15/h4-7H,2-3,8-10H2,1H3.
What are the key properties of 3,5-dimethylidene-1-(4-methylphenyl)sulfonylpiperidine?
3,5-dimethylidene-1-(4-methylphenyl)sulfonylpiperidine has a molecular weight of 263.36 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 3,5-dimethylidene-1-(4-methylphenyl)sulfonylpiperidine is sourced from PubChem (CID 14174967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).