N-[[6-(2,2-dimethylpropylsulfonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide

C21H29N3O4S — CID 90012269

IUPACN-[[6-(2,2-dimethylpropylsulfonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCC(C)(C)CS(=O)(=O)N1CCC2(CC1)CC2CNC(=O)c1cc2ccncc2o1
InChIInChI=1S/C21H29N3O4S/c1-20(2,3)14-29(26,27)24-8-5-21(6-9-24)11-16(21)12-23-19(25)17-10-15-4-7-22-13-18(15)28-17/h4,7,10,13,16H,5-6,8-9,11-12,14H2,1-3H3,(H,23,25)
InChIKeyXHOYVASNSBXRCD-UHFFFAOYSA-N
MW419.55 g/mol
LogP3.04
Rot. Bonds5

About N-[[6-(2,2-dimethylpropylsulfonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide

N-[[6-(2,2-dimethylpropylsulfonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 90012269) has the molecular formula C21H29N3O4S and a molecular weight of 419.55 g/mol. Its IUPAC name is N-[[6-(2,2-dimethylpropylsulfonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-(2,2-dimethylpropylsulfonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID90012269
Molecular FormulaC21H29N3O4S
Molecular Weight419.55 g/mol
Exact Mass419.19
IUPAC NameN-[[6-(2,2-dimethylpropylsulfonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCC(C)(C)CS(=O)(=O)N1CCC2(CC1)CC2CNC(=O)c1cc2ccncc2o1
InChIInChI=1S/C21H29N3O4S/c1-20(2,3)14-29(26,27)24-8-5-21(6-9-24)11-16(21)12-23-19(25)17-10-15-4-7-22-13-18(15)28-17/h4,7,10,13,16H,5-6,8-9,11-12,14H2,1-3H3,(H,23,25)
InChIKeyXHOYVASNSBXRCD-UHFFFAOYSA-N
XLogP3.04
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[6-(2,2-dimethylpropylsulfonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,2-dimethylpropylsulfonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[6-(2,2-dimethylpropylsulfonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 90012269) is N-[[6-(2,2-dimethylpropylsulfonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[6-(2,2-dimethylpropylsulfonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[6-(2,2-dimethylpropylsulfonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is CC(C)(C)CS(=O)(=O)N1CCC2(CC1)CC2CNC(=O)c1cc2ccncc2o1.
What is the InChIKey of N-[[6-(2,2-dimethylpropylsulfonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is XHOYVASNSBXRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4S/c1-20(2,3)14-29(26,27)24-8-5-21(6-9-24)11-16(21)12-23-19(25)17-10-15-4-7-22-13-18(15)28-17/h4,7,10,13,16H,5-6,8-9,11-12,14H2,1-3H3,(H,23,25).
What are the key properties of N-[[6-(2,2-dimethylpropylsulfonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[6-(2,2-dimethylpropylsulfonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 419.55 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,2-dimethylpropylsulfonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 90012269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).