N-[(2S)-6-azaspiro[2.5]octan-2-yl]-5-chloro-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide

C17H21ClN4OS — CID 129475917

About N-[(2S)-6-azaspiro[2.5]octan-2-yl]-5-chloro-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide

N-[(2S)-6-azaspiro[2.5]octan-2-yl]-5-chloro-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide (PubChem CID 129475917) has the molecular formula C17H21ClN4OS and a molecular weight of 364.90 g/mol. Its IUPAC name is N-[(2S)-6-azaspiro[2.5]octan-2-yl]-5-chloro-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-6-azaspiro[2.5]octan-2-yl]-5-chloro-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide
• PubChem CID: 129475917
• Molecular Formula: C17H21ClN4OS
• Molecular Weight: 364.90 g/mol
• Exact Mass: 364.11
• IUPAC Name: N-[(2S)-6-azaspiro[2.5]octan-2-yl]-5-chloro-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide
• SMILES: Cn1ccnc1CN(C(=O)c1ccc(Cl)s1)[C@H]1CC12CCNCC2
• InChI: InChI=1S/C17H21ClN4OS/c1-21-9-8-20-15(21)11-22(16(23)12-2-3-14(18)24-12)13-10-17(13)4-6-19-7-5-17/h2-3,8-9,13,19H,4-7,10-11H2,1H3/t13-/m0/s1
• InChIKey: NFBBHPLLCMVRJC-ZDUSSCGKSA-N
• XLogP: 2.92
• TPSA: 50.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.90
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-6-azaspiro[2.5]octan-2-yl]-5-chloro-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide?

The IUPAC name of N-[(2S)-6-azaspiro[2.5]octan-2-yl]-5-chloro-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide (CID 129475917) is N-[(2S)-6-azaspiro[2.5]octan-2-yl]-5-chloro-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide.

What is the SMILES notation for N-[(2S)-6-azaspiro[2.5]octan-2-yl]-5-chloro-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide?

The canonical SMILES for N-[(2S)-6-azaspiro[2.5]octan-2-yl]-5-chloro-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide is Cn1ccnc1CN(C(=O)c1ccc(Cl)s1)[C@H]1CC12CCNCC2.

What is the InChIKey of N-[(2S)-6-azaspiro[2.5]octan-2-yl]-5-chloro-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide?

The InChIKey is NFBBHPLLCMVRJC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21ClN4OS/c1-21-9-8-20-15(21)11-22(16(23)12-2-3-14(18)24-12)13-10-17(13)4-6-19-7-5-17/h2-3,8-9,13,19H,4-7,10-11H2,1H3/t13-/m0/s1.

What are the key properties of N-[(2S)-6-azaspiro[2.5]octan-2-yl]-5-chloro-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide?

N-[(2S)-6-azaspiro[2.5]octan-2-yl]-5-chloro-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide has a molecular weight of 364.90 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-6-azaspiro[2.5]octan-2-yl]-5-chloro-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 129475917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).