Ethane;6-hydroxysulfanyloxy-1,6-diazabicyclo[3.2.1]octan-7-one;N-[(4-methylpyrrolidin-2-yl)methoxy]formamide

C₁₅H₃₀N₄O₅S — CID 142418305

About Ethane;6-hydroxysulfanyloxy-1,6-diazabicyclo[3.2.1]octan-7-one;N-[(4-methylpyrrolidin-2-yl)methoxy]formamide

Ethane;6-hydroxysulfanyloxy-1,6-diazabicyclo[3.2.1]octan-7-one;N-[(4-methylpyrrolidin-2-yl)methoxy]formamide (PubChem CID 142418305) has the molecular formula C₁₅H₃₀N₄O₅S and a molecular weight of 378.50 g/mol. Its IUPAC name is ethane;6-hydroxysulfanyloxy-1,6-diazabicyclo[3.2.1]octan-7-one;N-[(4-methylpyrrolidin-2-yl)methoxy]formamide.

Molecular Properties

• Compound Name: Ethane;6-hydroxysulfanyloxy-1,6-diazabicyclo[3.2.1]octan-7-one;N-[(4-methylpyrrolidin-2-yl)methoxy]formamide
• PubChem CID: 142418305
• Molecular Formula: C₁₅H₃₀N₄O₅S
• Molecular Weight: 378.50 g/mol
• Exact Mass: 378.19
• IUPAC Name: ethane;6-hydroxysulfanyloxy-1,6-diazabicyclo[3.2.1]octan-7-one;N-[(4-methylpyrrolidin-2-yl)methoxy]formamide
• SMILES: CC.CC1CNC(CONC=O)C1.O=C1N2CCCC(C2)N1OSO
• InChI: InChI=1S/C7H14N2O2.C6H10N2O3S.C2H6/c1-6-2-7(8-3-6)4-11-9-5-10;9-6-7-3-1-2-5(4-7)8(6)11-12-10;1-2/h5-8H,2-4H2,1H3,(H,9,10);5,10H,1-4H2;1-2H3
• InChIKey: YATLMOWTYTVCSC-UHFFFAOYSA-N
• XLogP: 1.63
• TPSA: 103.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.50
LogP ≤ 5	1.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Ethane;6-hydroxysulfanyloxy-1,6-diazabicyclo[3.2.1]octan-7-one;N-[(4-methylpyrrolidin-2-yl)methoxy]formamide?

The IUPAC name of Ethane;6-hydroxysulfanyloxy-1,6-diazabicyclo[3.2.1]octan-7-one;N-[(4-methylpyrrolidin-2-yl)methoxy]formamide (CID 142418305) is ethane;6-hydroxysulfanyloxy-1,6-diazabicyclo[3.2.1]octan-7-one;N-[(4-methylpyrrolidin-2-yl)methoxy]formamide.

What is the SMILES notation for Ethane;6-hydroxysulfanyloxy-1,6-diazabicyclo[3.2.1]octan-7-one;N-[(4-methylpyrrolidin-2-yl)methoxy]formamide?

The canonical SMILES for Ethane;6-hydroxysulfanyloxy-1,6-diazabicyclo[3.2.1]octan-7-one;N-[(4-methylpyrrolidin-2-yl)methoxy]formamide is CC.CC1CNC(CONC=O)C1.O=C1N2CCCC(C2)N1OSO.

What is the InChIKey of Ethane;6-hydroxysulfanyloxy-1,6-diazabicyclo[3.2.1]octan-7-one;N-[(4-methylpyrrolidin-2-yl)methoxy]formamide?

The InChIKey is YATLMOWTYTVCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2.C6H10N2O3S.C2H6/c1-6-2-7(8-3-6)4-11-9-5-10;9-6-7-3-1-2-5(4-7)8(6)11-12-10;1-2/h5-8H,2-4H2,1H3,(H,9,10);5,10H,1-4H2;1-2H3.

What are the key properties of Ethane;6-hydroxysulfanyloxy-1,6-diazabicyclo[3.2.1]octan-7-one;N-[(4-methylpyrrolidin-2-yl)methoxy]formamide?

Ethane;6-hydroxysulfanyloxy-1,6-diazabicyclo[3.2.1]octan-7-one;N-[(4-methylpyrrolidin-2-yl)methoxy]formamide has a molecular weight of 378.50 g/mol, XLogP of 1.63, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for Ethane;6-hydroxysulfanyloxy-1,6-diazabicyclo[3.2.1]octan-7-one;N-[(4-methylpyrrolidin-2-yl)methoxy]formamide is sourced from PubChem (CID 142418305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 142418305 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.