3-cycloheptyl-1-benzothiophene 1,1-dioxide

C15H18O2S — CID 173079688

IUPAC3-cycloheptyl-1-benzothiophene 1,1-dioxide
SMILESO=S1(=O)C=C(C2CCCCCC2)c2ccccc21
InChIInChI=1S/C15H18O2S/c16-18(17)11-14(12-7-3-1-2-4-8-12)13-9-5-6-10-15(13)18/h5-6,9-12H,1-4,7-8H2
InChIKeyNFPONSDIRUYDKV-UHFFFAOYSA-N
MW262.37 g/mol
LogP3.79
Rot. Bonds1

About 3-cycloheptyl-1-benzothiophene 1,1-dioxide

3-cycloheptyl-1-benzothiophene 1,1-dioxide (PubChem CID 173079688) has the molecular formula C15H18O2S and a molecular weight of 262.37 g/mol. Its IUPAC name is 3-cycloheptyl-1-benzothiophene 1,1-dioxide.

Molecular Properties

Compound Name3-cycloheptyl-1-benzothiophene 1,1-dioxide
PubChem CID173079688
Molecular FormulaC15H18O2S
Molecular Weight262.37 g/mol
Exact Mass262.10
IUPAC Name3-cycloheptyl-1-benzothiophene 1,1-dioxide
SMILESO=S1(=O)C=C(C2CCCCCC2)c2ccccc21
InChIInChI=1S/C15H18O2S/c16-18(17)11-14(12-7-3-1-2-4-8-12)13-9-5-6-10-15(13)18/h5-6,9-12H,1-4,7-8H2
InChIKeyNFPONSDIRUYDKV-UHFFFAOYSA-N
XLogP3.79
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-dioxo-1-benzothiophene-3-carbaldehyde
CID 84665316
2-cyclododecylnaphthalene-1,4-dione
CID 142748981
(4E)-2-cyclohexyl-4-(3-cyclohexyl-4-oxonaphthalen-1-ylidene)naphthalen-1-one
CID 59920429
4-cyclohexyl-1,2-dihydroisoquinoline
CID 134913525
N-cyclooctyl-1,1-dioxo-1,2-benzothiazol-3-imine
CID 135935028
4-cyclohexyl-1,2λ6,3-benzoxathiazine 2,2-dioxide
CID 176891857
4-cyclododecyl-1,2λ6,3-benzoxathiazine 2,2-dioxide
CID 176891851
3-(propan-2-yloxymethyl)-1-benzothiophene 1,1-dioxide
CID 117170693
3-propyl-1-benzothiophene 1,1-dioxide
CID 126543677
2-cyclododecylphenol
CID 22381643
1,1-dioxo-N-(propan-2-ylideneamino)-1-benzothiophen-3-amine
CID 16639887
2-[2-(4-cyclohexylphenyl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 7560366

Frequently Asked Questions

What is the IUPAC name of 3-cycloheptyl-1-benzothiophene 1,1-dioxide?
The IUPAC name of 3-cycloheptyl-1-benzothiophene 1,1-dioxide (CID 173079688) is 3-cycloheptyl-1-benzothiophene 1,1-dioxide.
What is the SMILES notation for 3-cycloheptyl-1-benzothiophene 1,1-dioxide?
The canonical SMILES for 3-cycloheptyl-1-benzothiophene 1,1-dioxide is O=S1(=O)C=C(C2CCCCCC2)c2ccccc21.
What is the InChIKey of 3-cycloheptyl-1-benzothiophene 1,1-dioxide?
The InChIKey is NFPONSDIRUYDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2S/c16-18(17)11-14(12-7-3-1-2-4-8-12)13-9-5-6-10-15(13)18/h5-6,9-12H,1-4,7-8H2.
What are the key properties of 3-cycloheptyl-1-benzothiophene 1,1-dioxide?
3-cycloheptyl-1-benzothiophene 1,1-dioxide has a molecular weight of 262.37 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cycloheptyl-1-benzothiophene 1,1-dioxide is sourced from PubChem (CID 173079688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).