N-[2-[(8S)-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrazine-2-carboxamide

C19H24N4O2S — CID 124912640

About N-[2-[(8S)-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrazine-2-carboxamide

N-[2-[(8S)-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrazine-2-carboxamide (PubChem CID 124912640) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[2-[(8S)-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[(8S)-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrazine-2-carboxamide
• PubChem CID: 124912640
• Molecular Formula: C19H24N4O2S
• Molecular Weight: 372.49 g/mol
• Exact Mass: 372.16
• IUPAC Name: N-[2-[(8S)-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrazine-2-carboxamide
• SMILES: Cc1ccsc1CN1CC2(C1)OCC[C@@H]2CCNC(=O)c1cnccn1
• InChI: InChI=1S/C19H24N4O2S/c1-14-4-9-26-17(14)11-23-12-19(13-23)15(3-8-25-19)2-5-22-18(24)16-10-20-6-7-21-16/h4,6-7,9-10,15H,2-3,5,8,11-13H2,1H3,(H,22,24)/t15-/m0/s1
• InChIKey: VDOSXJNGSVPJTO-HNNXBMFYSA-N
• XLogP: 2.26
• TPSA: 67.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.49
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[(8S)-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrazine-2-carboxamide?

The IUPAC name of N-[2-[(8S)-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrazine-2-carboxamide (CID 124912640) is N-[2-[(8S)-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrazine-2-carboxamide.

What is the SMILES notation for N-[2-[(8S)-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrazine-2-carboxamide?

The canonical SMILES for N-[2-[(8S)-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrazine-2-carboxamide is Cc1ccsc1CN1CC2(C1)OCC[C@@H]2CCNC(=O)c1cnccn1.

What is the InChIKey of N-[2-[(8S)-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrazine-2-carboxamide?

The InChIKey is VDOSXJNGSVPJTO-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-14-4-9-26-17(14)11-23-12-19(13-23)15(3-8-25-19)2-5-22-18(24)16-10-20-6-7-21-16/h4,6-7,9-10,15H,2-3,5,8,11-13H2,1H3,(H,22,24)/t15-/m0/s1.

What are the key properties of N-[2-[(8S)-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrazine-2-carboxamide?

N-[2-[(8S)-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrazine-2-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(8S)-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 124912640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).