N-[[(5R,7R)-2-methylsulfonyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrazine-2-carboxamide

C15H22N4O4S — CID 97474788

IUPACN-[[(5R,7R)-2-methylsulfonyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrazine-2-carboxamide
SMILESCS(=O)(=O)N1CC[C@]2(CCC[C@H](CNC(=O)c3cnccn3)O2)C1
InChIInChI=1S/C15H22N4O4S/c1-24(21,22)19-8-5-15(11-19)4-2-3-12(23-15)9-18-14(20)13-10-16-6-7-17-13/h6-7,10,12H,2-5,8-9,11H2,1H3,(H,18,20)/t12-,15-/m1/s1
InChIKeyLKLGJKRWLSJLJJ-IUODEOHRSA-N
MW354.43 g/mol
LogP0.18
Rot. Bonds4

About N-[[(5R,7R)-2-methylsulfonyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrazine-2-carboxamide

N-[[(5R,7R)-2-methylsulfonyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrazine-2-carboxamide (PubChem CID 97474788) has the molecular formula C15H22N4O4S and a molecular weight of 354.43 g/mol. Its IUPAC name is N-[[(5R,7R)-2-methylsulfonyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[(5R,7R)-2-methylsulfonyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrazine-2-carboxamide
PubChem CID97474788
Molecular FormulaC15H22N4O4S
Molecular Weight354.43 g/mol
Exact Mass354.14
IUPAC NameN-[[(5R,7R)-2-methylsulfonyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrazine-2-carboxamide
SMILESCS(=O)(=O)N1CC[C@]2(CCC[C@H](CNC(=O)c3cnccn3)O2)C1
InChIInChI=1S/C15H22N4O4S/c1-24(21,22)19-8-5-15(11-19)4-2-3-12(23-15)9-18-14(20)13-10-16-6-7-17-13/h6-7,10,12H,2-5,8-9,11H2,1H3,(H,18,20)/t12-,15-/m1/s1
InChIKeyLKLGJKRWLSJLJJ-IUODEOHRSA-N
XLogP0.18
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(5S,7R)-2-methyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyridine-3-carboxamide
CID 124803680
N-[[(2S,5S)-7-(2-methoxyethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]pyrazine-2-carboxamide
CID 124798184
N-[[(5S,7S)-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]benzamide
CID 124781029
N-[[(5R,7R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155855697
N-[(5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl)methyl]pyrazine-2-carboxamide
CID 133141737
(5R,7R)-2-methylsulfonyl-7-(morpholin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 155830110
N-[[(5R,7S)-2-(pyridine-2-carbonyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155837745
N-[[(5R,7R)-2-acetyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 155833747
N-[[(5S,7S)-2-cyclopentyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-1-methylpyrrole-2-carboxamide
CID 124816768
N-[[(5R,7S)-2-(thiophene-3-carbonyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide
CID 97475132
N-[[(5R,7S)-2-cyclopentyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-1-methylpyrrole-2-carboxamide
CID 97476595
N-[[(5R,7R)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide
CID 97474642

Frequently Asked Questions

What is the IUPAC name of N-[[(5R,7R)-2-methylsulfonyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[[(5R,7R)-2-methylsulfonyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrazine-2-carboxamide (CID 97474788) is N-[[(5R,7R)-2-methylsulfonyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[[(5R,7R)-2-methylsulfonyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[[(5R,7R)-2-methylsulfonyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrazine-2-carboxamide is CS(=O)(=O)N1CC[C@]2(CCC[C@H](CNC(=O)c3cnccn3)O2)C1.
What is the InChIKey of N-[[(5R,7R)-2-methylsulfonyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrazine-2-carboxamide?
The InChIKey is LKLGJKRWLSJLJJ-IUODEOHRSA-N. The full InChI is InChI=1S/C15H22N4O4S/c1-24(21,22)19-8-5-15(11-19)4-2-3-12(23-15)9-18-14(20)13-10-16-6-7-17-13/h6-7,10,12H,2-5,8-9,11H2,1H3,(H,18,20)/t12-,15-/m1/s1.
What are the key properties of N-[[(5R,7R)-2-methylsulfonyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrazine-2-carboxamide?
N-[[(5R,7R)-2-methylsulfonyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrazine-2-carboxamide has a molecular weight of 354.43 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5R,7R)-2-methylsulfonyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 97474788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).