1-(oxan-4-ylsulfonyl)spiro[2H-indole-3,1'-cyclopropane]

C15H19NO3S — CID 56794326

IUPAC1-(oxan-4-ylsulfonyl)spiro[2H-indole-3,1'-cyclopropane]
SMILESO=S(=O)(C1CCOCC1)N1CC2(CC2)c2ccccc21
InChIInChI=1S/C15H19NO3S/c17-20(18,12-5-9-19-10-6-12)16-11-15(7-8-15)13-3-1-2-4-14(13)16/h1-4,12H,5-11H2
InChIKeyJYOUGIMZDSKRNI-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.05
Rot. Bonds2

About 1-(oxan-4-ylsulfonyl)spiro[2H-indole-3,1'-cyclopropane]

1-(oxan-4-ylsulfonyl)spiro[2H-indole-3,1'-cyclopropane] (PubChem CID 56794326) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-(oxan-4-ylsulfonyl)spiro[2H-indole-3,1'-cyclopropane].

Molecular Properties

Compound Name1-(oxan-4-ylsulfonyl)spiro[2H-indole-3,1'-cyclopropane]
PubChem CID56794326
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Name1-(oxan-4-ylsulfonyl)spiro[2H-indole-3,1'-cyclopropane]
SMILESO=S(=O)(C1CCOCC1)N1CC2(CC2)c2ccccc21
InChIInChI=1S/C15H19NO3S/c17-20(18,12-5-9-19-10-6-12)16-11-15(7-8-15)13-3-1-2-4-14(13)16/h1-4,12H,5-11H2
InChIKeyJYOUGIMZDSKRNI-UHFFFAOYSA-N
XLogP2.05
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-ylsulfonyl)spiro[2H-indole-3,1'-cyclopropane]?
The IUPAC name of 1-(oxan-4-ylsulfonyl)spiro[2H-indole-3,1'-cyclopropane] (CID 56794326) is 1-(oxan-4-ylsulfonyl)spiro[2H-indole-3,1'-cyclopropane].
What is the SMILES notation for 1-(oxan-4-ylsulfonyl)spiro[2H-indole-3,1'-cyclopropane]?
The canonical SMILES for 1-(oxan-4-ylsulfonyl)spiro[2H-indole-3,1'-cyclopropane] is O=S(=O)(C1CCOCC1)N1CC2(CC2)c2ccccc21.
What is the InChIKey of 1-(oxan-4-ylsulfonyl)spiro[2H-indole-3,1'-cyclopropane]?
The InChIKey is JYOUGIMZDSKRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c17-20(18,12-5-9-19-10-6-12)16-11-15(7-8-15)13-3-1-2-4-14(13)16/h1-4,12H,5-11H2.
What are the key properties of 1-(oxan-4-ylsulfonyl)spiro[2H-indole-3,1'-cyclopropane]?
1-(oxan-4-ylsulfonyl)spiro[2H-indole-3,1'-cyclopropane] has a molecular weight of 293.39 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-ylsulfonyl)spiro[2H-indole-3,1'-cyclopropane] is sourced from PubChem (CID 56794326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).