N-[2-[(8R)-2-(1-methylimidazol-4-yl)sulfonyl-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridin-2-amine

C17H23N5O3S — CID 124810752

About N-[2-[(8R)-2-(1-methylimidazol-4-yl)sulfonyl-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridin-2-amine

N-[2-[(8R)-2-(1-methylimidazol-4-yl)sulfonyl-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridin-2-amine (PubChem CID 124810752) has the molecular formula C17H23N5O3S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[2-[(8R)-2-(1-methylimidazol-4-yl)sulfonyl-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridin-2-amine.

Molecular Properties

• Compound Name: N-[2-[(8R)-2-(1-methylimidazol-4-yl)sulfonyl-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridin-2-amine
• PubChem CID: 124810752
• Molecular Formula: C17H23N5O3S
• Molecular Weight: 377.47 g/mol
• Exact Mass: 377.15
• IUPAC Name: N-[2-[(8R)-2-(1-methylimidazol-4-yl)sulfonyl-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridin-2-amine
• SMILES: Cn1cnc(S(=O)(=O)N2CC3(C2)OCC[C@H]3CCNc2ccccn2)c1
• InChI: InChI=1S/C17H23N5O3S/c1-21-10-16(20-13-21)26(23,24)22-11-17(12-22)14(6-9-25-17)5-8-19-15-4-2-3-7-18-15/h2-4,7,10,13-14H,5-6,8-9,11-12H2,1H3,(H,18,19)/t14-/m1/s1
• InChIKey: PDCPJWQYGYARRM-CQSZACIVSA-N
• XLogP: 1.10
• TPSA: 89.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.47
LogP ≤ 5	1.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[(8R)-2-(1-methylimidazol-4-yl)sulfonyl-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridin-2-amine?

The IUPAC name of N-[2-[(8R)-2-(1-methylimidazol-4-yl)sulfonyl-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridin-2-amine (CID 124810752) is N-[2-[(8R)-2-(1-methylimidazol-4-yl)sulfonyl-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridin-2-amine.

What is the SMILES notation for N-[2-[(8R)-2-(1-methylimidazol-4-yl)sulfonyl-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridin-2-amine?

The canonical SMILES for N-[2-[(8R)-2-(1-methylimidazol-4-yl)sulfonyl-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridin-2-amine is Cn1cnc(S(=O)(=O)N2CC3(C2)OCC[C@H]3CCNc2ccccn2)c1.

What is the InChIKey of N-[2-[(8R)-2-(1-methylimidazol-4-yl)sulfonyl-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridin-2-amine?

The InChIKey is PDCPJWQYGYARRM-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23N5O3S/c1-21-10-16(20-13-21)26(23,24)22-11-17(12-22)14(6-9-25-17)5-8-19-15-4-2-3-7-18-15/h2-4,7,10,13-14H,5-6,8-9,11-12H2,1H3,(H,18,19)/t14-/m1/s1.

What are the key properties of N-[2-[(8R)-2-(1-methylimidazol-4-yl)sulfonyl-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridin-2-amine?

N-[2-[(8R)-2-(1-methylimidazol-4-yl)sulfonyl-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridin-2-amine has a molecular weight of 377.47 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(8R)-2-(1-methylimidazol-4-yl)sulfonyl-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridin-2-amine is sourced from PubChem (CID 124810752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).