[(6S)-6-(4-cyclopropylphenyl)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;sulfane

C22H31NO2S — CID 165095352

About [(6S)-6-(4-cyclopropylphenyl)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;sulfane

[(6S)-6-(4-cyclopropylphenyl)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;sulfane (PubChem CID 165095352) has the molecular formula C22H31NO2S and a molecular weight of 373.56 g/mol. Its IUPAC name is [(6S)-6-(4-cyclopropylphenyl)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;sulfane.

Molecular Properties

• Compound Name: [(6S)-6-(4-cyclopropylphenyl)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;sulfane
• PubChem CID: 165095352
• Molecular Formula: C22H31NO2S
• Molecular Weight: 373.56 g/mol
• Exact Mass: 373.21
• IUPAC Name: [(6S)-6-(4-cyclopropylphenyl)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;sulfane
• SMILES: CC1(O)CC(C(=O)N2CC3(CC[C@H](c4ccc(C5CC5)cc4)C3)C2)C1.S
• InChI: InChI=1S/C22H29NO2.H2S/c1-21(25)10-19(11-21)20(24)23-13-22(14-23)9-8-18(12-22)17-6-4-16(5-7-17)15-2-3-15;/h4-7,15,18-19,25H,2-3,8-14H2,1H3;1H2/t18-,19?,21?;/m0./s1
• InChIKey: XKEOUQDIEUUIDA-GKELLNHJSA-N
• XLogP: 3.93
• TPSA: 40.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.56
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of [(6S)-6-(4-cyclopropylphenyl)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;sulfane?

The IUPAC name of [(6S)-6-(4-cyclopropylphenyl)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;sulfane (CID 165095352) is [(6S)-6-(4-cyclopropylphenyl)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;sulfane.

What is the SMILES notation for [(6S)-6-(4-cyclopropylphenyl)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;sulfane?

The canonical SMILES for [(6S)-6-(4-cyclopropylphenyl)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;sulfane is CC1(O)CC(C(=O)N2CC3(CC[C@H](c4ccc(C5CC5)cc4)C3)C2)C1.S.

What is the InChIKey of [(6S)-6-(4-cyclopropylphenyl)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;sulfane?

The InChIKey is XKEOUQDIEUUIDA-GKELLNHJSA-N. The full InChI is InChI=1S/C22H29NO2.H2S/c1-21(25)10-19(11-21)20(24)23-13-22(14-23)9-8-18(12-22)17-6-4-16(5-7-17)15-2-3-15;/h4-7,15,18-19,25H,2-3,8-14H2,1H3;1H2/t18-,19?,21?;/m0./s1.

What are the key properties of [(6S)-6-(4-cyclopropylphenyl)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;sulfane?

[(6S)-6-(4-cyclopropylphenyl)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;sulfane has a molecular weight of 373.56 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [(6S)-6-(4-cyclopropylphenyl)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;sulfane is sourced from PubChem (CID 165095352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).