N-[(5R,9R)-2-(thiophen-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide

C18H22N4O2S — CID 97477682

About N-[(5R,9R)-2-(thiophen-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide

N-[(5R,9R)-2-(thiophen-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide (PubChem CID 97477682) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is N-[(5R,9R)-2-(thiophen-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(5R,9R)-2-(thiophen-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide
• PubChem CID: 97477682
• Molecular Formula: C18H22N4O2S
• Molecular Weight: 358.47 g/mol
• Exact Mass: 358.15
• IUPAC Name: N-[(5R,9R)-2-(thiophen-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide
• SMILES: O=C(N[C@@H]1CCO[C@]2(CCN(Cc3cccs3)C2)C1)c1cnccn1
• InChI: InChI=1S/C18H22N4O2S/c23-17(16-11-19-5-6-20-16)21-14-3-8-24-18(10-14)4-7-22(13-18)12-15-2-1-9-25-15/h1-2,5-6,9,11,14H,3-4,7-8,10,12-13H2,(H,21,23)/t14-,18-/m1/s1
• InChIKey: DHUBYUHGDNNIBQ-RDTXWAMCSA-N
• XLogP: 2.09
• TPSA: 67.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.47
LogP ≤ 5	2.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(5R,9R)-2-(thiophen-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide?

The IUPAC name of N-[(5R,9R)-2-(thiophen-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide (CID 97477682) is N-[(5R,9R)-2-(thiophen-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide.

What is the SMILES notation for N-[(5R,9R)-2-(thiophen-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide?

The canonical SMILES for N-[(5R,9R)-2-(thiophen-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide is O=C(N[C@@H]1CCO[C@]2(CCN(Cc3cccs3)C2)C1)c1cnccn1.

What is the InChIKey of N-[(5R,9R)-2-(thiophen-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide?

The InChIKey is DHUBYUHGDNNIBQ-RDTXWAMCSA-N. The full InChI is InChI=1S/C18H22N4O2S/c23-17(16-11-19-5-6-20-16)21-14-3-8-24-18(10-14)4-7-22(13-18)12-15-2-1-9-25-15/h1-2,5-6,9,11,14H,3-4,7-8,10,12-13H2,(H,21,23)/t14-,18-/m1/s1.

What are the key properties of N-[(5R,9R)-2-(thiophen-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide?

N-[(5R,9R)-2-(thiophen-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide has a molecular weight of 358.47 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5R,9R)-2-(thiophen-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 97477682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).