6-(6-azaspiro[2.5]octan-6-yl)-6-ethylsulfonylcyclohexa-2,4-diene-1-carboxamide

C16H24N2O3S — CID 155011525

IUPAC6-(6-azaspiro[2.5]octan-6-yl)-6-ethylsulfonylcyclohexa-2,4-diene-1-carboxamide
SMILESCCS(=O)(=O)C1(N2CCC3(CC2)CC3)C=CC=CC1C(N)=O
InChIInChI=1S/C16H24N2O3S/c1-2-22(20,21)16(6-4-3-5-13(16)14(17)19)18-11-9-15(7-8-15)10-12-18/h3-6,13H,2,7-12H2,1H3,(H2,17,19)
InChIKeySEBBUNRMEPCDLK-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.22
Rot. Bonds4

About 6-(6-azaspiro[2.5]octan-6-yl)-6-ethylsulfonylcyclohexa-2,4-diene-1-carboxamide

6-(6-azaspiro[2.5]octan-6-yl)-6-ethylsulfonylcyclohexa-2,4-diene-1-carboxamide (PubChem CID 155011525) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 6-(6-azaspiro[2.5]octan-6-yl)-6-ethylsulfonylcyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name6-(6-azaspiro[2.5]octan-6-yl)-6-ethylsulfonylcyclohexa-2,4-diene-1-carboxamide
PubChem CID155011525
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name6-(6-azaspiro[2.5]octan-6-yl)-6-ethylsulfonylcyclohexa-2,4-diene-1-carboxamide
SMILESCCS(=O)(=O)C1(N2CCC3(CC2)CC3)C=CC=CC1C(N)=O
InChIInChI=1S/C16H24N2O3S/c1-2-22(20,21)16(6-4-3-5-13(16)14(17)19)18-11-9-15(7-8-15)10-12-18/h3-6,13H,2,7-12H2,1H3,(H2,17,19)
InChIKeySEBBUNRMEPCDLK-UHFFFAOYSA-N
XLogP1.22
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(6-azaspiro[2.5]octan-6-yl)-6-ethylsulfonylcyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 6-(6-azaspiro[2.5]octan-6-yl)-6-ethylsulfonylcyclohexa-2,4-diene-1-carboxamide (CID 155011525) is 6-(6-azaspiro[2.5]octan-6-yl)-6-ethylsulfonylcyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 6-(6-azaspiro[2.5]octan-6-yl)-6-ethylsulfonylcyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 6-(6-azaspiro[2.5]octan-6-yl)-6-ethylsulfonylcyclohexa-2,4-diene-1-carboxamide is CCS(=O)(=O)C1(N2CCC3(CC2)CC3)C=CC=CC1C(N)=O.
What is the InChIKey of 6-(6-azaspiro[2.5]octan-6-yl)-6-ethylsulfonylcyclohexa-2,4-diene-1-carboxamide?
The InChIKey is SEBBUNRMEPCDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-2-22(20,21)16(6-4-3-5-13(16)14(17)19)18-11-9-15(7-8-15)10-12-18/h3-6,13H,2,7-12H2,1H3,(H2,17,19).
What are the key properties of 6-(6-azaspiro[2.5]octan-6-yl)-6-ethylsulfonylcyclohexa-2,4-diene-1-carboxamide?
6-(6-azaspiro[2.5]octan-6-yl)-6-ethylsulfonylcyclohexa-2,4-diene-1-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-azaspiro[2.5]octan-6-yl)-6-ethylsulfonylcyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 155011525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).