N-[2-(2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octan-8-yl)ethyl]pyridine-4-carboxamide

C17H25N3O4S — CID 131691995

IUPACN-[2-(2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octan-8-yl)ethyl]pyridine-4-carboxamide
SMILESCC(C)S(=O)(=O)N1CC2(C1)OCCC2CCNC(=O)c1ccncc1
InChIInChI=1S/C17H25N3O4S/c1-13(2)25(22,23)20-11-17(12-20)15(6-10-24-17)5-9-19-16(21)14-3-7-18-8-4-14/h3-4,7-8,13,15H,5-6,9-12H2,1-2H3,(H,19,21)
InChIKeyKNKMFAMSWNJKBJ-UHFFFAOYSA-N
MW367.47 g/mol
LogP1.03
Rot. Bonds6

About N-[2-(2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octan-8-yl)ethyl]pyridine-4-carboxamide

N-[2-(2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octan-8-yl)ethyl]pyridine-4-carboxamide (PubChem CID 131691995) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[2-(2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octan-8-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octan-8-yl)ethyl]pyridine-4-carboxamide
PubChem CID131691995
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC NameN-[2-(2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octan-8-yl)ethyl]pyridine-4-carboxamide
SMILESCC(C)S(=O)(=O)N1CC2(C1)OCCC2CCNC(=O)c1ccncc1
InChIInChI=1S/C17H25N3O4S/c1-13(2)25(22,23)20-11-17(12-20)15(6-10-24-17)5-9-19-16(21)14-3-7-18-8-4-14/h3-4,7-8,13,15H,5-6,9-12H2,1-2H3,(H,19,21)
InChIKeyKNKMFAMSWNJKBJ-UHFFFAOYSA-N
XLogP1.03
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octan-8-yl)ethyl]pyridine-4-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-[2-(2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octan-8-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-(2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octan-8-yl)ethyl]pyridine-4-carboxamide (CID 131691995) is N-[2-(2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octan-8-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octan-8-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octan-8-yl)ethyl]pyridine-4-carboxamide is CC(C)S(=O)(=O)N1CC2(C1)OCCC2CCNC(=O)c1ccncc1.
What is the InChIKey of N-[2-(2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octan-8-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is KNKMFAMSWNJKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-13(2)25(22,23)20-11-17(12-20)15(6-10-24-17)5-9-19-16(21)14-3-7-18-8-4-14/h3-4,7-8,13,15H,5-6,9-12H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octan-8-yl)ethyl]pyridine-4-carboxamide?
N-[2-(2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octan-8-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octan-8-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 131691995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).