1-phenyl-2'-sulfinylspiro[1H-2-benzofuran-3,4'-piperidine]

C18H17NO2S — CID 163444417

IUPAC1-phenyl-2'-sulfinylspiro[1H-2-benzofuran-3,4'-piperidine]
SMILESO=S=C1CC2(CCN1)OC(c1ccccc1)c1ccccc12
InChIInChI=1S/C18H17NO2S/c20-22-16-12-18(10-11-19-16)15-9-5-4-8-14(15)17(21-18)13-6-2-1-3-7-13/h1-9,17,19H,10-12H2
InChIKeyBBHCEXIEDYZHBA-UHFFFAOYSA-N
MW311.41 g/mol
LogP2.73
Rot. Bonds1

About 1-phenyl-2'-sulfinylspiro[1H-2-benzofuran-3,4'-piperidine]

1-phenyl-2'-sulfinylspiro[1H-2-benzofuran-3,4'-piperidine] (PubChem CID 163444417) has the molecular formula C18H17NO2S and a molecular weight of 311.41 g/mol. Its IUPAC name is 1-phenyl-2'-sulfinylspiro[1H-2-benzofuran-3,4'-piperidine].

Molecular Properties

Compound Name1-phenyl-2'-sulfinylspiro[1H-2-benzofuran-3,4'-piperidine]
PubChem CID163444417
Molecular FormulaC18H17NO2S
Molecular Weight311.41 g/mol
Exact Mass311.10
IUPAC Name1-phenyl-2'-sulfinylspiro[1H-2-benzofuran-3,4'-piperidine]
SMILESO=S=C1CC2(CCN1)OC(c1ccccc1)c1ccccc12
InChIInChI=1S/C18H17NO2S/c20-22-16-12-18(10-11-19-16)15-9-5-4-8-14(15)17(21-18)13-6-2-1-3-7-13/h1-9,17,19H,10-12H2
InChIKeyBBHCEXIEDYZHBA-UHFFFAOYSA-N
XLogP2.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-pyridin-3-ylspiro[1H-2-benzofuran-3,4'-piperidine];hydrobromide
CID 21428792
1-thiophen-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]
CID 21428781
(1S)-1-(4-methoxyphenyl)spiro[1H-2-benzofuran-3,4'-oxane]
CID 164668462
1'-(dimethylphosphorylmethyl)-1-(4-methylphenyl)spiro[1H-2-benzofuran-3,4'-piperidine]
CID 21493377
1-(4-fluorophenyl)-4-[1-(4-fluorophenyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl]butan-1-one
CID 54014448
(1R)-5-fluoro-1'-methyl-1-phenylspiro[1H-2-benzofuran-3,4'-piperidine]
CID 129405189
2-spiro[1H-2-benzofuran-3,4'-piperidine]-1-ylethanol
CID 83854136
1-naphthalen-2-yl-3-phenyl-3H-2-benzofuran-1-ol
CID 59642868
1-tert-butylspiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxylic acid
CID 90970065
N,N-diethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide
CID 71193661
4-phenyl-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one
CID 22914652
1'-(1-benzofuran-2-ylmethyl)-1-(3,5-dichlorophenyl)spiro[1H-2-benzofuran-3,4'-piperidine]
CID 57397048

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2'-sulfinylspiro[1H-2-benzofuran-3,4'-piperidine]?
The IUPAC name of 1-phenyl-2'-sulfinylspiro[1H-2-benzofuran-3,4'-piperidine] (CID 163444417) is 1-phenyl-2'-sulfinylspiro[1H-2-benzofuran-3,4'-piperidine].
What is the SMILES notation for 1-phenyl-2'-sulfinylspiro[1H-2-benzofuran-3,4'-piperidine]?
The canonical SMILES for 1-phenyl-2'-sulfinylspiro[1H-2-benzofuran-3,4'-piperidine] is O=S=C1CC2(CCN1)OC(c1ccccc1)c1ccccc12.
What is the InChIKey of 1-phenyl-2'-sulfinylspiro[1H-2-benzofuran-3,4'-piperidine]?
The InChIKey is BBHCEXIEDYZHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2S/c20-22-16-12-18(10-11-19-16)15-9-5-4-8-14(15)17(21-18)13-6-2-1-3-7-13/h1-9,17,19H,10-12H2.
What are the key properties of 1-phenyl-2'-sulfinylspiro[1H-2-benzofuran-3,4'-piperidine]?
1-phenyl-2'-sulfinylspiro[1H-2-benzofuran-3,4'-piperidine] has a molecular weight of 311.41 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2'-sulfinylspiro[1H-2-benzofuran-3,4'-piperidine] is sourced from PubChem (CID 163444417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).