N-[(5S,9S)-2-methylsulfonyl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide

C15H21N3O4S — CID 124782328

IUPACN-[(5S,9S)-2-methylsulfonyl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide
SMILESCS(=O)(=O)N1CC[C@]2(C[C@@H](NC(=O)c3ccncc3)CCO2)C1
InChIInChI=1S/C15H21N3O4S/c1-23(20,21)18-8-5-15(11-18)10-13(4-9-22-15)17-14(19)12-2-6-16-7-3-12/h2-3,6-7,13H,4-5,8-11H2,1H3,(H,17,19)/t13-,15-/m0/s1
InChIKeyGHCTWJRQKGOIDP-ZFWWWQNUSA-N
MW339.42 g/mol
LogP0.39
Rot. Bonds3

About N-[(5S,9S)-2-methylsulfonyl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide

N-[(5S,9S)-2-methylsulfonyl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide (PubChem CID 124782328) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[(5S,9S)-2-methylsulfonyl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(5S,9S)-2-methylsulfonyl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide
PubChem CID124782328
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC NameN-[(5S,9S)-2-methylsulfonyl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide
SMILESCS(=O)(=O)N1CC[C@]2(C[C@@H](NC(=O)c3ccncc3)CCO2)C1
InChIInChI=1S/C15H21N3O4S/c1-23(20,21)18-8-5-15(11-18)10-13(4-9-22-15)17-14(19)12-2-6-16-7-3-12/h2-3,6-7,13H,4-5,8-11H2,1H3,(H,17,19)/t13-,15-/m0/s1
InChIKeyGHCTWJRQKGOIDP-ZFWWWQNUSA-N
XLogP0.39
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(5S,9S)-2-methylsulfonyl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide with MolForge

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Related Compounds

N-[(5S,9R)-2-methylsulfonyl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide
CID 124782327
N-[(5R,9S)-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide
CID 97475846
N-[(5R,9S)-2-(thiophen-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide
CID 97477674
N-[(5R,9R)-2-(pyridin-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide
CID 97474442
N-[(5R,9R)-2-(pyridin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide
CID 97476036
N-[(5S,9S)-2-(pyridin-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]benzamide
CID 124780353
1,1-dimethyl-3-[(5R,9S)-2-(pyridin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]urea
CID 97476683
1-methyl-N-[(5S,9S)-2-(pyridin-3-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazole-4-carboxamide
CID 124820308
2-methyl-N-(5-oxaspiro[3.5]nonan-8-yl)pyridine-4-carboxamide
CID 166234579
N-[(5S,9S)-2-[(1-methylpyrazol-4-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]benzamide
CID 124822025
N-(1-oxaspiro[4.5]decan-3-yl)pyridine-4-carboxamide
CID 91767897
N-[(5S,9S)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide
CID 124780444

Frequently Asked Questions

What is the IUPAC name of N-[(5S,9S)-2-methylsulfonyl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide?
The IUPAC name of N-[(5S,9S)-2-methylsulfonyl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide (CID 124782328) is N-[(5S,9S)-2-methylsulfonyl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(5S,9S)-2-methylsulfonyl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[(5S,9S)-2-methylsulfonyl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide is CS(=O)(=O)N1CC[C@]2(C[C@@H](NC(=O)c3ccncc3)CCO2)C1.
What is the InChIKey of N-[(5S,9S)-2-methylsulfonyl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide?
The InChIKey is GHCTWJRQKGOIDP-ZFWWWQNUSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-23(20,21)18-8-5-15(11-18)10-13(4-9-22-15)17-14(19)12-2-6-16-7-3-12/h2-3,6-7,13H,4-5,8-11H2,1H3,(H,17,19)/t13-,15-/m0/s1.
What are the key properties of N-[(5S,9S)-2-methylsulfonyl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide?
N-[(5S,9S)-2-methylsulfonyl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S,9S)-2-methylsulfonyl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide is sourced from PubChem (CID 124782328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).