3-(benzenesulfonyl)spiro[3H-furan-2,2'-8-azabicyclo[3.2.1]octane]

C16H19NO3S — CID 142879912

IUPAC3-(benzenesulfonyl)spiro[3H-furan-2,2'-8-azabicyclo[3.2.1]octane]
SMILESO=S(=O)(c1ccccc1)C1C=COC12CCC1CCC2N1
InChIInChI=1S/C16H19NO3S/c18-21(19,13-4-2-1-3-5-13)15-9-11-20-16(15)10-8-12-6-7-14(16)17-12/h1-5,9,11-12,14-15,17H,6-8,10H2
InChIKeyKFYMPTDQNAHPIZ-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.03
Rot. Bonds2

About 3-(benzenesulfonyl)spiro[3H-furan-2,2'-8-azabicyclo[3.2.1]octane]

3-(benzenesulfonyl)spiro[3H-furan-2,2'-8-azabicyclo[3.2.1]octane] (PubChem CID 142879912) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-(benzenesulfonyl)spiro[3H-furan-2,2'-8-azabicyclo[3.2.1]octane].

Molecular Properties

Compound Name3-(benzenesulfonyl)spiro[3H-furan-2,2'-8-azabicyclo[3.2.1]octane]
PubChem CID142879912
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name3-(benzenesulfonyl)spiro[3H-furan-2,2'-8-azabicyclo[3.2.1]octane]
SMILESO=S(=O)(c1ccccc1)C1C=COC12CCC1CCC2N1
InChIInChI=1S/C16H19NO3S/c18-21(19,13-4-2-1-3-5-13)15-9-11-20-16(15)10-8-12-6-7-14(16)17-12/h1-5,9,11-12,14-15,17H,6-8,10H2
InChIKeyKFYMPTDQNAHPIZ-UHFFFAOYSA-N
XLogP2.03
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)spiro[3H-furan-2,2'-8-azabicyclo[3.2.1]octane]?
The IUPAC name of 3-(benzenesulfonyl)spiro[3H-furan-2,2'-8-azabicyclo[3.2.1]octane] (CID 142879912) is 3-(benzenesulfonyl)spiro[3H-furan-2,2'-8-azabicyclo[3.2.1]octane].
What is the SMILES notation for 3-(benzenesulfonyl)spiro[3H-furan-2,2'-8-azabicyclo[3.2.1]octane]?
The canonical SMILES for 3-(benzenesulfonyl)spiro[3H-furan-2,2'-8-azabicyclo[3.2.1]octane] is O=S(=O)(c1ccccc1)C1C=COC12CCC1CCC2N1.
What is the InChIKey of 3-(benzenesulfonyl)spiro[3H-furan-2,2'-8-azabicyclo[3.2.1]octane]?
The InChIKey is KFYMPTDQNAHPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c18-21(19,13-4-2-1-3-5-13)15-9-11-20-16(15)10-8-12-6-7-14(16)17-12/h1-5,9,11-12,14-15,17H,6-8,10H2.
What are the key properties of 3-(benzenesulfonyl)spiro[3H-furan-2,2'-8-azabicyclo[3.2.1]octane]?
3-(benzenesulfonyl)spiro[3H-furan-2,2'-8-azabicyclo[3.2.1]octane] has a molecular weight of 305.40 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)spiro[3H-furan-2,2'-8-azabicyclo[3.2.1]octane] is sourced from PubChem (CID 142879912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).