tert-butyl N-(6-azaspiro[3.4]octan-2-yl)carbamate;tert-butyl N-[6-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-6-azaspiro[3.4]octan-2-yl]carbamate;8-(2,3-dichlorophenyl)sulfanyl-6H-imidazo[1,2-c]pyrimidin-5-one;6-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-6-azaspiro[3.4]octan-2-amine;methane;molecular nitrogen

C69H83Cl6N17O5S3 — CID 161401895

About tert-butyl N-(6-azaspiro[3.4]octan-2-yl)carbamate;tert-butyl N-[6-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-6-azaspiro[3.4]octan-2-yl]carbamate;8-(2,3-dichlorophenyl)sulfanyl-6H-imidazo[1,2-c]pyrimidin-5-one;6-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-6-azaspiro[3.4]octan-2-amine;methane;molecular nitrogen

tert-butyl N-(6-azaspiro[3.4]octan-2-yl)carbamate;tert-butyl N-[6-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-6-azaspiro[3.4]octan-2-yl]carbamate;8-(2,3-dichlorophenyl)sulfanyl-6H-imidazo[1,2-c]pyrimidin-5-one;6-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-6-azaspiro[3.4]octan-2-amine;methane;molecular nitrogen (PubChem CID 161401895) has the molecular formula C69H83Cl6N17O5S3 and a molecular weight of 1539.46 g/mol. Its IUPAC name is tert-butyl N-(6-azaspiro[3.4]octan-2-yl)carbamate;tert-butyl N-[6-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-6-azaspiro[3.4]octan-2-yl]carbamate;8-(2,3-dichlorophenyl)sulfanyl-6H-imidazo[1,2-c]pyrimidin-5-one;6-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-6-azaspiro[3.4]octan-2-amine;methane;molecular nitrogen.

Molecular Properties

• Compound Name: tert-butyl N-(6-azaspiro[3.4]octan-2-yl)carbamate;tert-butyl N-[6-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-6-azaspiro[3.4]octan-2-yl]carbamate;8-(2,3-dichlorophenyl)sulfanyl-6H-imidazo[1,2-c]pyrimidin-5-one;6-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-6-azaspiro[3.4]octan-2-amine;methane;molecular nitrogen
• PubChem CID: 161401895
• Molecular Formula: C69H83Cl6N17O5S3
• Molecular Weight: 1539.46 g/mol
• Exact Mass: 1535.41
• IUPAC Name: tert-butyl N-(6-azaspiro[3.4]octan-2-yl)carbamate;tert-butyl N-[6-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-6-azaspiro[3.4]octan-2-yl]carbamate;8-(2,3-dichlorophenyl)sulfanyl-6H-imidazo[1,2-c]pyrimidin-5-one;6-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-6-azaspiro[3.4]octan-2-amine;methane;molecular nitrogen
• SMILES: C.C.CC(C)(C)OC(=O)NC1CC2(CCN(c3ncc(Sc4cccc(Cl)c4Cl)c4nccn34)C2)C1.CC(C)(C)OC(=O)NC1CC2(CCNC2)C1.N#N.NC1CC2(CCN(c3ncc(Sc4cccc(Cl)c4Cl)c4nccn34)C2)C1.O=c1[nH]cc(Sc2cccc(Cl)c2Cl)c2nccn12
• InChI: InChI=1S/C24H27Cl2N5O2S.C19H19Cl2N5S.C12H7Cl2N3OS.C12H22N2O2.2CH4.N2/c1-23(2,3)33-22(32)29-15-11-24(12-15)7-9-30(14-24)21-28-13-18(20-27-8-10-31(20)21)34-17-6-4-5-16(25)19(17)26;20-13-2-1-3-14(16(13)21)27-15-10-24-18(26-7-5-23-17(15)26)25-6-4-19(11-25)8-12(22)9-19;13-7-2-1-3-8(10(7)14)19-9-6-16-12(18)17-5-4-15-11(9)17;1-11(2,3)16-10(15)14-9-6-12(7-9)4-5-13-8-12;;;1-2/h4-6,8,10,13,15H,7,9,11-12,14H2,1-3H3,(H,29,32);1-3,5,7,10,12H,4,6,8-9,11,22H2;1-6H,(H,16,18);9,13H,4-8H2,1-3H3,(H,14,15);2*1H4
• InChIKey: VUIOPQSWNYJREM-UHFFFAOYSA-N
• XLogP: 17.01
• TPSA: 279.31 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 10
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1539.46
LogP ≤ 5	17.01
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Azo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-azaspiro[3.4]octan-2-yl)carbamate;tert-butyl N-[6-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-6-azaspiro[3.4]octan-2-yl]carbamate;8-(2,3-dichlorophenyl)sulfanyl-6H-imidazo[1,2-c]pyrimidin-5-one;6-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-6-azaspiro[3.4]octan-2-amine;methane;molecular nitrogen?

The IUPAC name of tert-butyl N-(6-azaspiro[3.4]octan-2-yl)carbamate;tert-butyl N-[6-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-6-azaspiro[3.4]octan-2-yl]carbamate;8-(2,3-dichlorophenyl)sulfanyl-6H-imidazo[1,2-c]pyrimidin-5-one;6-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-6-azaspiro[3.4]octan-2-amine;methane;molecular nitrogen (CID 161401895) is tert-butyl N-(6-azaspiro[3.4]octan-2-yl)carbamate;tert-butyl N-[6-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-6-azaspiro[3.4]octan-2-yl]carbamate;8-(2,3-dichlorophenyl)sulfanyl-6H-imidazo[1,2-c]pyrimidin-5-one;6-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-6-azaspiro[3.4]octan-2-amine;methane;molecular nitrogen.

What is the SMILES notation for tert-butyl N-(6-azaspiro[3.4]octan-2-yl)carbamate;tert-butyl N-[6-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-6-azaspiro[3.4]octan-2-yl]carbamate;8-(2,3-dichlorophenyl)sulfanyl-6H-imidazo[1,2-c]pyrimidin-5-one;6-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-6-azaspiro[3.4]octan-2-amine;methane;molecular nitrogen?

The canonical SMILES for tert-butyl N-(6-azaspiro[3.4]octan-2-yl)carbamate;tert-butyl N-[6-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-6-azaspiro[3.4]octan-2-yl]carbamate;8-(2,3-dichlorophenyl)sulfanyl-6H-imidazo[1,2-c]pyrimidin-5-one;6-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-6-azaspiro[3.4]octan-2-amine;methane;molecular nitrogen is C.C.CC(C)(C)OC(=O)NC1CC2(CCN(c3ncc(Sc4cccc(Cl)c4Cl)c4nccn34)C2)C1.CC(C)(C)OC(=O)NC1CC2(CCNC2)C1.N#N.NC1CC2(CCN(c3ncc(Sc4cccc(Cl)c4Cl)c4nccn34)C2)C1.O=c1[nH]cc(Sc2cccc(Cl)c2Cl)c2nccn12.

What is the InChIKey of tert-butyl N-(6-azaspiro[3.4]octan-2-yl)carbamate;tert-butyl N-[6-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-6-azaspiro[3.4]octan-2-yl]carbamate;8-(2,3-dichlorophenyl)sulfanyl-6H-imidazo[1,2-c]pyrimidin-5-one;6-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-6-azaspiro[3.4]octan-2-amine;methane;molecular nitrogen?

The InChIKey is VUIOPQSWNYJREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27Cl2N5O2S.C19H19Cl2N5S.C12H7Cl2N3OS.C12H22N2O2.2CH4.N2/c1-23(2,3)33-22(32)29-15-11-24(12-15)7-9-30(14-24)21-28-13-18(20-27-8-10-31(20)21)34-17-6-4-5-16(25)19(17)26;20-13-2-1-3-14(16(13)21)27-15-10-24-18(26-7-5-23-17(15)26)25-6-4-19(11-25)8-12(22)9-19;13-7-2-1-3-8(10(7)14)19-9-6-16-12(18)17-5-4-15-11(9)17;1-11(2,3)16-10(15)14-9-6-12(7-9)4-5-13-8-12;;;1-2/h4-6,8,10,13,15H,7,9,11-12,14H2,1-3H3,(H,29,32);1-3,5,7,10,12H,4,6,8-9,11,22H2;1-6H,(H,16,18);9,13H,4-8H2,1-3H3,(H,14,15);2*1H4;.

What are the key properties of tert-butyl N-(6-azaspiro[3.4]octan-2-yl)carbamate;tert-butyl N-[6-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-6-azaspiro[3.4]octan-2-yl]carbamate;8-(2,3-dichlorophenyl)sulfanyl-6H-imidazo[1,2-c]pyrimidin-5-one;6-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-6-azaspiro[3.4]octan-2-amine;methane;molecular nitrogen?

tert-butyl N-(6-azaspiro[3.4]octan-2-yl)carbamate;tert-butyl N-[6-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-6-azaspiro[3.4]octan-2-yl]carbamate;8-(2,3-dichlorophenyl)sulfanyl-6H-imidazo[1,2-c]pyrimidin-5-one;6-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-6-azaspiro[3.4]octan-2-amine;methane;molecular nitrogen has a molecular weight of 1539.46 g/mol, XLogP of 17.01, 10 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-(6-azaspiro[3.4]octan-2-yl)carbamate;tert-butyl N-[6-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-6-azaspiro[3.4]octan-2-yl]carbamate;8-(2,3-dichlorophenyl)sulfanyl-6H-imidazo[1,2-c]pyrimidin-5-one;6-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-6-azaspiro[3.4]octan-2-amine;methane;molecular nitrogen is sourced from PubChem (CID 161401895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).