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

C15H19NO3S — CID 121187194

IUPAC4-cyclopropylidene-1-(3-methoxyphenyl)sulfonylpiperidine
SMILESCOc1cccc(S(=O)(=O)N2CCC(=C3CC3)CC2)c1
InChIInChI=1S/C15H19NO3S/c1-19-14-3-2-4-15(11-14)20(17,18)16-9-7-13(8-10-16)12-5-6-12/h2-4,11H,5-10H2,1H3
InChIKeyINMIVNVHGQSYBD-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.57
Rot. Bonds3

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

4-cyclopropylidene-1-(3-methoxyphenyl)sulfonylpiperidine (PubChem CID 121187194) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is 4-cyclopropylidene-1-(3-methoxyphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name4-cyclopropylidene-1-(3-methoxyphenyl)sulfonylpiperidine
PubChem CID121187194
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Name4-cyclopropylidene-1-(3-methoxyphenyl)sulfonylpiperidine
SMILESCOc1cccc(S(=O)(=O)N2CCC(=C3CC3)CC2)c1
InChIInChI=1S/C15H19NO3S/c1-19-14-3-2-4-15(11-14)20(17,18)16-9-7-13(8-10-16)12-5-6-12/h2-4,11H,5-10H2,1H3
InChIKeyINMIVNVHGQSYBD-UHFFFAOYSA-N
XLogP2.57
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-(3-methoxyphenyl)sulfonylpiperidin-4-one
CID 143985284
4-cyclopropylidene-1-(3-methylphenyl)sulfonylpiperidine
CID 121187182
1-(3-methoxyphenyl)sulfonyl-4-propan-2-ylpiperazine
CID 91823993
(3R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-ol
CID 81258608
4-cyclopropylidene-1-(3,4-dimethoxyphenyl)sulfonylpiperidine
CID 121187227
1-butyl-4-(3-methoxyphenyl)sulfonylpiperazine
CID 91824001
1-(3-methoxyphenyl)sulfonyl-4-methylpiperidine-4-carboxylic acid
CID 81264716
9-(3-methoxyphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 90510515
4-methoxy-1-(3-methoxyphenyl)sulfonyl-4-phenylpiperidine
CID 163316787
1-(3-methoxyphenyl)sulfonyl-4-(2-phenylethyl)piperazine
CID 71954698
1-(3-methoxyphenyl)sulfonyl-4-(4-methoxypiperidin-1-yl)piperidine
CID 90616602
4-cyclopropylidene-1-naphthalen-2-ylsulfonylpiperidine
CID 121187246

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylidene-1-(3-methoxyphenyl)sulfonylpiperidine?
The IUPAC name of 4-cyclopropylidene-1-(3-methoxyphenyl)sulfonylpiperidine (CID 121187194) is 4-cyclopropylidene-1-(3-methoxyphenyl)sulfonylpiperidine.
What is the SMILES notation for 4-cyclopropylidene-1-(3-methoxyphenyl)sulfonylpiperidine?
The canonical SMILES for 4-cyclopropylidene-1-(3-methoxyphenyl)sulfonylpiperidine is COc1cccc(S(=O)(=O)N2CCC(=C3CC3)CC2)c1.
What is the InChIKey of 4-cyclopropylidene-1-(3-methoxyphenyl)sulfonylpiperidine?
The InChIKey is INMIVNVHGQSYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-19-14-3-2-4-15(11-14)20(17,18)16-9-7-13(8-10-16)12-5-6-12/h2-4,11H,5-10H2,1H3.
What are the key properties of 4-cyclopropylidene-1-(3-methoxyphenyl)sulfonylpiperidine?
4-cyclopropylidene-1-(3-methoxyphenyl)sulfonylpiperidine has a molecular weight of 293.39 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylidene-1-(3-methoxyphenyl)sulfonylpiperidine is sourced from PubChem (CID 121187194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).