5-[5-(Cyclopropylmethyl)-3-thienyl]-3-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-1H-indole

HCID 66747148
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Basic information

Standard SMILES
O=S1(=O)CCC(c2c[nH]c3ccc(-c4csc(CC5CC5)c4)cc23)CC1
InChIKey
PUCFDDDANXZPJY-UHFFFAOYSA-N
Molecular formula
C21H23NO2S2
Average molar mass
385.5 g/mol
Monoisotopic mass
385.11702132

Names & identifiers

Preferred name
5-[5-(Cyclopropylmethyl)-3-thienyl]-3-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-1H-indole
IUPAC
4-[5-[5-(cyclopropylmethyl)thiophen-3-yl]-1H-indol-3-yl]thiane 1,1-dioxide

Names & synonyms

SCHEMBL621640PUCFDDDANXZPJY-UHFFFAOYSA-N5-[5-(Cyclopropylmethyl)-3-thienyl]-3-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-1H-indole

Database identifiers

PubChem CID
66747148

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
86.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
26

Related reactions

1 records
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Compound notes

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