N-[(2S)-1-amino-3-[(1S)-4,4-dimethyl-2-oxocyclopentyl]-1-oxopropan-2-yl]-2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide;bis(2-(7-chloro-1H-indole-2-carbonyl)-N-[(1S)-1-cyano-2-[(1S)-4,4-dimethyl-2-oxocyclopentyl]ethyl]-2-azaspiro[4.5]decane-3-carboxamide);methyl thiohypofluorite

C88H110Cl3FN12O10S — CID 163582959

About N-[(2S)-1-amino-3-[(1S)-4,4-dimethyl-2-oxocyclopentyl]-1-oxopropan-2-yl]-2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide;bis(2-(7-chloro-1H-indole-2-carbonyl)-N-[(1S)-1-cyano-2-[(1S)-4,4-dimethyl-2-oxocyclopentyl]ethyl]-2-azaspiro[4.5]decane-3-carboxamide);methyl thiohypofluorite

N-[(2S)-1-amino-3-[(1S)-4,4-dimethyl-2-oxocyclopentyl]-1-oxopropan-2-yl]-2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide;bis(2-(7-chloro-1H-indole-2-carbonyl)-N-[(1S)-1-cyano-2-[(1S)-4,4-dimethyl-2-oxocyclopentyl]ethyl]-2-azaspiro[4.5]decane-3-carboxamide);methyl thiohypofluorite (PubChem CID 163582959) has the molecular formula C88H110Cl3FN12O10S and a molecular weight of 1653.35 g/mol. Its IUPAC name is N-[(2S)-1-amino-3-[(1S)-4,4-dimethyl-2-oxocyclopentyl]-1-oxopropan-2-yl]-2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide;bis(2-(7-chloro-1H-indole-2-carbonyl)-N-[(1S)-1-cyano-2-[(1S)-4,4-dimethyl-2-oxocyclopentyl]ethyl]-2-azaspiro[4.5]decane-3-carboxamide);methyl thiohypofluorite.

Molecular Properties

• Compound Name: N-[(2S)-1-amino-3-[(1S)-4,4-dimethyl-2-oxocyclopentyl]-1-oxopropan-2-yl]-2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide;bis(2-(7-chloro-1H-indole-2-carbonyl)-N-[(1S)-1-cyano-2-[(1S)-4,4-dimethyl-2-oxocyclopentyl]ethyl]-2-azaspiro[4.5]decane-3-carboxamide);methyl thiohypofluorite
• PubChem CID: 163582959
• Molecular Formula: C88H110Cl3FN12O10S
• Molecular Weight: 1653.35 g/mol
• Exact Mass: 1650.72
• IUPAC Name: N-[(2S)-1-amino-3-[(1S)-4,4-dimethyl-2-oxocyclopentyl]-1-oxopropan-2-yl]-2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide;bis(2-(7-chloro-1H-indole-2-carbonyl)-N-[(1S)-1-cyano-2-[(1S)-4,4-dimethyl-2-oxocyclopentyl]ethyl]-2-azaspiro[4.5]decane-3-carboxamide);methyl thiohypofluorite
• SMILES: CC1(C)CC(=O)[C@H](C[C@@H](C#N)NC(=O)C2CC3(CCCCC3)CN2C(=O)c2cc3cccc(Cl)c3[nH]2)C1.CC1(C)CC(=O)[C@H](C[C@@H](C#N)NC(=O)C2CC3(CCCCC3)CN2C(=O)c2cc3cccc(Cl)c3[nH]2)C1.CC1(C)CC(=O)[C@H](C[C@H](NC(=O)C2CC3(CCCCC3)CN2C(=O)c2cc3cccc(Cl)c3[nH]2)C(N)=O)C1.CSF
• InChI: InChI=1S/C29H37ClN4O4.2C29H35ClN4O3.CH3FS/c1-28(2)13-18(23(35)15-28)12-20(25(31)36)33-26(37)22-14-29(9-4-3-5-10-29)16-34(22)27(38)21-11-17-7-6-8-19(30)24(17)32-21;2*1-28(2)13-19(24(35)15-28)11-20(16-31)32-26(36)23-14-29(9-4-3-5-10-29)17-34(23)27(37)22-12-18-7-6-8-21(30)25(18)33-22;1-3-2/h6-8,11,18,20,22,32H,3-5,9-10,12-16H2,1-2H3,(H2,31,36)(H,33,37);2*6-8,12,19-20,23,33H,3-5,9-11,13-15,17H2,1-2H3,(H,32,36);1H3/t18-,20+,22?;2*19-,20+,23?;/m111./s1
• InChIKey: GJCICZODHLPSEW-LYMXQYSWSA-N
• XLogP: 16.37
• TPSA: 337.48 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 13
• Rotatable Bonds: 16
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1653.35
LogP ≤ 5	16.37
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-3-[(1S)-4,4-dimethyl-2-oxocyclopentyl]-1-oxopropan-2-yl]-2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide;bis(2-(7-chloro-1H-indole-2-carbonyl)-N-[(1S)-1-cyano-2-[(1S)-4,4-dimethyl-2-oxocyclopentyl]ethyl]-2-azaspiro[4.5]decane-3-carboxamide);methyl thiohypofluorite?

The IUPAC name of N-[(2S)-1-amino-3-[(1S)-4,4-dimethyl-2-oxocyclopentyl]-1-oxopropan-2-yl]-2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide;bis(2-(7-chloro-1H-indole-2-carbonyl)-N-[(1S)-1-cyano-2-[(1S)-4,4-dimethyl-2-oxocyclopentyl]ethyl]-2-azaspiro[4.5]decane-3-carboxamide);methyl thiohypofluorite (CID 163582959) is N-[(2S)-1-amino-3-[(1S)-4,4-dimethyl-2-oxocyclopentyl]-1-oxopropan-2-yl]-2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide;bis(2-(7-chloro-1H-indole-2-carbonyl)-N-[(1S)-1-cyano-2-[(1S)-4,4-dimethyl-2-oxocyclopentyl]ethyl]-2-azaspiro[4.5]decane-3-carboxamide);methyl thiohypofluorite.

What is the SMILES notation for N-[(2S)-1-amino-3-[(1S)-4,4-dimethyl-2-oxocyclopentyl]-1-oxopropan-2-yl]-2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide;bis(2-(7-chloro-1H-indole-2-carbonyl)-N-[(1S)-1-cyano-2-[(1S)-4,4-dimethyl-2-oxocyclopentyl]ethyl]-2-azaspiro[4.5]decane-3-carboxamide);methyl thiohypofluorite?

The canonical SMILES for N-[(2S)-1-amino-3-[(1S)-4,4-dimethyl-2-oxocyclopentyl]-1-oxopropan-2-yl]-2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide;bis(2-(7-chloro-1H-indole-2-carbonyl)-N-[(1S)-1-cyano-2-[(1S)-4,4-dimethyl-2-oxocyclopentyl]ethyl]-2-azaspiro[4.5]decane-3-carboxamide);methyl thiohypofluorite is CC1(C)CC(=O)[C@H](C[C@@H](C#N)NC(=O)C2CC3(CCCCC3)CN2C(=O)c2cc3cccc(Cl)c3[nH]2)C1.CC1(C)CC(=O)[C@H](C[C@@H](C#N)NC(=O)C2CC3(CCCCC3)CN2C(=O)c2cc3cccc(Cl)c3[nH]2)C1.CC1(C)CC(=O)[C@H](C[C@H](NC(=O)C2CC3(CCCCC3)CN2C(=O)c2cc3cccc(Cl)c3[nH]2)C(N)=O)C1.CSF.

What is the InChIKey of N-[(2S)-1-amino-3-[(1S)-4,4-dimethyl-2-oxocyclopentyl]-1-oxopropan-2-yl]-2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide;bis(2-(7-chloro-1H-indole-2-carbonyl)-N-[(1S)-1-cyano-2-[(1S)-4,4-dimethyl-2-oxocyclopentyl]ethyl]-2-azaspiro[4.5]decane-3-carboxamide);methyl thiohypofluorite?

The InChIKey is GJCICZODHLPSEW-LYMXQYSWSA-N. The full InChI is InChI=1S/C29H37ClN4O4.2C29H35ClN4O3.CH3FS/c1-28(2)13-18(23(35)15-28)12-20(25(31)36)33-26(37)22-14-29(9-4-3-5-10-29)16-34(22)27(38)21-11-17-7-6-8-19(30)24(17)32-21;2*1-28(2)13-19(24(35)15-28)11-20(16-31)32-26(36)23-14-29(9-4-3-5-10-29)17-34(23)27(37)22-12-18-7-6-8-21(30)25(18)33-22;1-3-2/h6-8,11,18,20,22,32H,3-5,9-10,12-16H2,1-2H3,(H2,31,36)(H,33,37);2*6-8,12,19-20,23,33H,3-5,9-11,13-15,17H2,1-2H3,(H,32,36);1H3/t18-,20+,22?;2*19-,20+,23?;/m111./s1.

What are the key properties of N-[(2S)-1-amino-3-[(1S)-4,4-dimethyl-2-oxocyclopentyl]-1-oxopropan-2-yl]-2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide;bis(2-(7-chloro-1H-indole-2-carbonyl)-N-[(1S)-1-cyano-2-[(1S)-4,4-dimethyl-2-oxocyclopentyl]ethyl]-2-azaspiro[4.5]decane-3-carboxamide);methyl thiohypofluorite?

N-[(2S)-1-amino-3-[(1S)-4,4-dimethyl-2-oxocyclopentyl]-1-oxopropan-2-yl]-2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide;bis(2-(7-chloro-1H-indole-2-carbonyl)-N-[(1S)-1-cyano-2-[(1S)-4,4-dimethyl-2-oxocyclopentyl]ethyl]-2-azaspiro[4.5]decane-3-carboxamide);methyl thiohypofluorite has a molecular weight of 1653.35 g/mol, XLogP of 16.37, 16 rotatable bonds, 7 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-amino-3-[(1S)-4,4-dimethyl-2-oxocyclopentyl]-1-oxopropan-2-yl]-2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide;bis(2-(7-chloro-1H-indole-2-carbonyl)-N-[(1S)-1-cyano-2-[(1S)-4,4-dimethyl-2-oxocyclopentyl]ethyl]-2-azaspiro[4.5]decane-3-carboxamide);methyl thiohypofluorite is sourced from PubChem (CID 163582959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).