4-cyclopropylidene-1-(3-methylphenyl)sulfonylpiperidine

C15H19NO2S — CID 121187182

IUPAC4-cyclopropylidene-1-(3-methylphenyl)sulfonylpiperidine
SMILESCc1cccc(S(=O)(=O)N2CCC(=C3CC3)CC2)c1
InChIInChI=1S/C15H19NO2S/c1-12-3-2-4-15(11-12)19(17,18)16-9-7-14(8-10-16)13-5-6-13/h2-4,11H,5-10H2,1H3
InChIKeyOSFZPCXBCHPYEV-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.87
Rot. Bonds2

About 4-cyclopropylidene-1-(3-methylphenyl)sulfonylpiperidine

4-cyclopropylidene-1-(3-methylphenyl)sulfonylpiperidine (PubChem CID 121187182) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is 4-cyclopropylidene-1-(3-methylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name4-cyclopropylidene-1-(3-methylphenyl)sulfonylpiperidine
PubChem CID121187182
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name4-cyclopropylidene-1-(3-methylphenyl)sulfonylpiperidine
SMILESCc1cccc(S(=O)(=O)N2CCC(=C3CC3)CC2)c1
InChIInChI=1S/C15H19NO2S/c1-12-3-2-4-15(11-12)19(17,18)16-9-7-14(8-10-16)13-5-6-13/h2-4,11H,5-10H2,1H3
InChIKeyOSFZPCXBCHPYEV-UHFFFAOYSA-N
XLogP2.87
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.87
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

4-cyclopropylidene-1-(3-methoxyphenyl)sulfonylpiperidine
CID 121187194
N-[1-(3-methylphenyl)sulfonylpiperidin-4-ylidene]hydroxylamine
CID 24702246
4-cyclopropylidene-1-(4-methylphenyl)sulfonylpiperidine
CID 121187247
1-(3-chloro-4-methylphenyl)sulfonyl-4-cyclopropylidenepiperidine
CID 121187216
4-cyclopropylidene-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine
CID 121187233
3-cyclopropylidene-8-(3-methylphenyl)sulfonyl-8-azabicyclo[3.2.1]octane
CID 139027234
1-cycloheptyl-4-(3-methylphenyl)sulfonylpiperazine
CID 113074976
4-cyclopropylidene-1-naphthalen-2-ylsulfonylpiperidine
CID 121187246
(3R)-1-(3-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291650
1-(3-methylphenyl)sulfonyl-4-(6-methyl-2-pyridinyl)piperazine
CID 3716411
5-(3-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 47138851
N,N-dimethyl-4-(3-methylphenyl)sulfonyl-1,4-diazepane-1-sulfonamide
CID 110799696

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylidene-1-(3-methylphenyl)sulfonylpiperidine?
The IUPAC name of 4-cyclopropylidene-1-(3-methylphenyl)sulfonylpiperidine (CID 121187182) is 4-cyclopropylidene-1-(3-methylphenyl)sulfonylpiperidine.
What is the SMILES notation for 4-cyclopropylidene-1-(3-methylphenyl)sulfonylpiperidine?
The canonical SMILES for 4-cyclopropylidene-1-(3-methylphenyl)sulfonylpiperidine is Cc1cccc(S(=O)(=O)N2CCC(=C3CC3)CC2)c1.
What is the InChIKey of 4-cyclopropylidene-1-(3-methylphenyl)sulfonylpiperidine?
The InChIKey is OSFZPCXBCHPYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-12-3-2-4-15(11-12)19(17,18)16-9-7-14(8-10-16)13-5-6-13/h2-4,11H,5-10H2,1H3.
What are the key properties of 4-cyclopropylidene-1-(3-methylphenyl)sulfonylpiperidine?
4-cyclopropylidene-1-(3-methylphenyl)sulfonylpiperidine has a molecular weight of 277.39 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylidene-1-(3-methylphenyl)sulfonylpiperidine is sourced from PubChem (CID 121187182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).