(R)-N-[1'-[6-amino-5-(2-amino-7,7-dimethyl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide

C30H40N8O2S2 — CID 170683025

About (R)-N-[1'-[6-amino-5-(2-amino-7,7-dimethyl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide

(R)-N-[1'-[6-amino-5-(2-amino-7,7-dimethyl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide (PubChem CID 170683025) has the molecular formula C30H40N8O2S2 and a molecular weight of 608.84 g/mol. Its IUPAC name is (R)-N-[1'-[6-amino-5-(2-amino-7,7-dimethyl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

• Compound Name: (R)-N-[1'-[6-amino-5-(2-amino-7,7-dimethyl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
• PubChem CID: 170683025
• Molecular Formula: C30H40N8O2S2
• Molecular Weight: 608.84 g/mol
• Exact Mass: 608.27
• IUPAC Name: (R)-N-[1'-[6-amino-5-(2-amino-7,7-dimethyl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
• SMILES: CC1(C)CN(C(=O)c2ncc(N3CCC4(CC3)Cc3ccccc3C4N[S@](=O)C(C)(C)C)nc2N)Cc2sc(N)nc21
• InChI: InChI=1S/C30H40N8O2S2/c1-28(2,3)42(40)36-23-19-9-7-6-8-18(19)14-30(23)10-12-37(13-11-30)21-15-33-22(25(31)34-21)26(39)38-16-20-24(29(4,5)17-38)35-27(32)41-20/h6-9,15,23,36H,10-14,16-17H2,1-5H3,(H2,31,34)(H2,32,35)/t23?,42-/m1/s1
• InChIKey: GGYZRTKFGGYLDD-DNFNOEEASA-N
• XLogP: 3.97
• TPSA: 143.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	608.84
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (R)-N-[1'-[6-amino-5-(2-amino-7,7-dimethyl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?

The IUPAC name of (R)-N-[1'-[6-amino-5-(2-amino-7,7-dimethyl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide (CID 170683025) is (R)-N-[1'-[6-amino-5-(2-amino-7,7-dimethyl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide.

What is the SMILES notation for (R)-N-[1'-[6-amino-5-(2-amino-7,7-dimethyl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?

The canonical SMILES for (R)-N-[1'-[6-amino-5-(2-amino-7,7-dimethyl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide is CC1(C)CN(C(=O)c2ncc(N3CCC4(CC3)Cc3ccccc3C4N[S@](=O)C(C)(C)C)nc2N)Cc2sc(N)nc21.

What is the InChIKey of (R)-N-[1'-[6-amino-5-(2-amino-7,7-dimethyl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?

The InChIKey is GGYZRTKFGGYLDD-DNFNOEEASA-N. The full InChI is InChI=1S/C30H40N8O2S2/c1-28(2,3)42(40)36-23-19-9-7-6-8-18(19)14-30(23)10-12-37(13-11-30)21-15-33-22(25(31)34-21)26(39)38-16-20-24(29(4,5)17-38)35-27(32)41-20/h6-9,15,23,36H,10-14,16-17H2,1-5H3,(H2,31,34)(H2,32,35)/t23?,42-/m1/s1.

What are the key properties of (R)-N-[1'-[6-amino-5-(2-amino-7,7-dimethyl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?

(R)-N-[1'-[6-amino-5-(2-amino-7,7-dimethyl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 608.84 g/mol, XLogP of 3.97, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (R)-N-[1'-[6-amino-5-(2-amino-7,7-dimethyl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 170683025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).