2-benzylsulfonyl-2-azaspiro[4.5]decane

C16H23NO2S — CID 75373982

IUPAC2-benzylsulfonyl-2-azaspiro[4.5]decane
SMILESO=S(=O)(Cc1ccccc1)N1CCC2(CCCCC2)C1
InChIInChI=1S/C16H23NO2S/c18-20(19,13-15-7-3-1-4-8-15)17-12-11-16(14-17)9-5-2-6-10-16/h1,3-4,7-8H,2,5-6,9-14H2
InChIKeyNALDPDSDTQAHAZ-UHFFFAOYSA-N
MW293.43 g/mol
LogP3.17
Rot. Bonds3

About 2-benzylsulfonyl-2-azaspiro[4.5]decane

2-benzylsulfonyl-2-azaspiro[4.5]decane (PubChem CID 75373982) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is 2-benzylsulfonyl-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name2-benzylsulfonyl-2-azaspiro[4.5]decane
PubChem CID75373982
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC Name2-benzylsulfonyl-2-azaspiro[4.5]decane
SMILESO=S(=O)(Cc1ccccc1)N1CCC2(CCCCC2)C1
InChIInChI=1S/C16H23NO2S/c18-20(19,13-15-7-3-1-4-8-15)17-12-11-16(14-17)9-5-2-6-10-16/h1,3-4,7-8H,2,5-6,9-14H2
InChIKeyNALDPDSDTQAHAZ-UHFFFAOYSA-N
XLogP3.17
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfonyl-2-azaspiro[4.5]decane?
The IUPAC name of 2-benzylsulfonyl-2-azaspiro[4.5]decane (CID 75373982) is 2-benzylsulfonyl-2-azaspiro[4.5]decane.
What is the SMILES notation for 2-benzylsulfonyl-2-azaspiro[4.5]decane?
The canonical SMILES for 2-benzylsulfonyl-2-azaspiro[4.5]decane is O=S(=O)(Cc1ccccc1)N1CCC2(CCCCC2)C1.
What is the InChIKey of 2-benzylsulfonyl-2-azaspiro[4.5]decane?
The InChIKey is NALDPDSDTQAHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c18-20(19,13-15-7-3-1-4-8-15)17-12-11-16(14-17)9-5-2-6-10-16/h1,3-4,7-8H,2,5-6,9-14H2.
What are the key properties of 2-benzylsulfonyl-2-azaspiro[4.5]decane?
2-benzylsulfonyl-2-azaspiro[4.5]decane has a molecular weight of 293.43 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfonyl-2-azaspiro[4.5]decane is sourced from PubChem (CID 75373982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).