4-cyclopropylidene-1-naphthalen-2-ylsulfonylpiperidine

C18H19NO2S — CID 121187246

IUPAC4-cyclopropylidene-1-naphthalen-2-ylsulfonylpiperidine
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCC(=C2CC2)CC1
InChIInChI=1S/C18H19NO2S/c20-22(21,19-11-9-16(10-12-19)15-5-6-15)18-8-7-14-3-1-2-4-17(14)13-18/h1-4,7-8,13H,5-6,9-12H2
InChIKeyJTOLJQSWHUWQSC-UHFFFAOYSA-N
MW313.42 g/mol
LogP3.71
Rot. Bonds2

About 4-cyclopropylidene-1-naphthalen-2-ylsulfonylpiperidine

4-cyclopropylidene-1-naphthalen-2-ylsulfonylpiperidine (PubChem CID 121187246) has the molecular formula C18H19NO2S and a molecular weight of 313.42 g/mol. Its IUPAC name is 4-cyclopropylidene-1-naphthalen-2-ylsulfonylpiperidine.

Molecular Properties

Compound Name4-cyclopropylidene-1-naphthalen-2-ylsulfonylpiperidine
PubChem CID121187246
Molecular FormulaC18H19NO2S
Molecular Weight313.42 g/mol
Exact Mass313.11
IUPAC Name4-cyclopropylidene-1-naphthalen-2-ylsulfonylpiperidine
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCC(=C2CC2)CC1
InChIInChI=1S/C18H19NO2S/c20-22(21,19-11-9-16(10-12-19)15-5-6-15)18-8-7-14-3-1-2-4-17(14)13-18/h1-4,7-8,13H,5-6,9-12H2
InChIKeyJTOLJQSWHUWQSC-UHFFFAOYSA-N
XLogP3.71
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 53.71
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

1-naphthalen-2-ylsulfonylpyrrolidine
CID 819722
1-methyl-4-naphthalen-2-ylsulfonylpiperazine
CID 872090
2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline
CID 808079
1-methylsulfonyl-4-naphthalen-2-ylsulfonylpiperazine;oxalic acid
CID 126477286
1-methyl-4-naphthalen-2-ylsulfonyl-1,4-diazepan-1-ium
CID 2429370
1-naphthalen-2-ylsulfonyl-4-phenylpiperidine
CID 4729267
4-cyclopropylidene-1-(3,4-difluorophenyl)sulfonylpiperidine
CID 121187202
4-cyclopropylidene-1-(3-methylphenyl)sulfonylpiperidine
CID 121187182
4-cyclopropylidene-1-(3-methoxyphenyl)sulfonylpiperidine
CID 121187194
1-(2-chlorophenyl)-4-naphthalen-2-ylsulfonylpiperazin-1-ium
CID 3390322
1-(3-chloro-4-methylphenyl)sulfonyl-4-cyclopropylidenepiperidine
CID 121187216
(2S)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)propanenitrile
CID 8743070

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylidene-1-naphthalen-2-ylsulfonylpiperidine?
The IUPAC name of 4-cyclopropylidene-1-naphthalen-2-ylsulfonylpiperidine (CID 121187246) is 4-cyclopropylidene-1-naphthalen-2-ylsulfonylpiperidine.
What is the SMILES notation for 4-cyclopropylidene-1-naphthalen-2-ylsulfonylpiperidine?
The canonical SMILES for 4-cyclopropylidene-1-naphthalen-2-ylsulfonylpiperidine is O=S(=O)(c1ccc2ccccc2c1)N1CCC(=C2CC2)CC1.
What is the InChIKey of 4-cyclopropylidene-1-naphthalen-2-ylsulfonylpiperidine?
The InChIKey is JTOLJQSWHUWQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2S/c20-22(21,19-11-9-16(10-12-19)15-5-6-15)18-8-7-14-3-1-2-4-17(14)13-18/h1-4,7-8,13H,5-6,9-12H2.
What are the key properties of 4-cyclopropylidene-1-naphthalen-2-ylsulfonylpiperidine?
4-cyclopropylidene-1-naphthalen-2-ylsulfonylpiperidine has a molecular weight of 313.42 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylidene-1-naphthalen-2-ylsulfonylpiperidine is sourced from PubChem (CID 121187246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).