C14H21N4O7S

C₁₄H₂₁N₄O₇S — CID 156588676

About C14H21N4O7S

C14H21N4O7S (PubChem CID 156588676) has the molecular formula C₁₄H₂₁N₄O₇S and a molecular weight of 389.41 g/mol.

Molecular Properties

• Compound Name: C14H21N4O7S
• PubChem CID: 156588676
• Molecular Formula: C₁₄H₂₁N₄O₇S
• Molecular Weight: 389.41 g/mol
• Exact Mass: 389.11
• IUPAC Name: —
• SMILES: [O]C1=C2C[C@@H](CC[C@H]2C(=O)NNC(=O)[C@@H]2CCCNC2)N1OS(=O)(=O)O
• InChI: InChI=1S/C14H21N4O7S/c19-12(8-2-1-5-15-7-8)16-17-13(20)10-4-3-9-6-11(10)14(21)18(9)25-26(22,23)24/h8-10,15H,1-7H2,(H,16,19)(H,17,20)(H,22,23,24)/t8-,9-,10-/m1/s1
• InChIKey: MIIYUSYIHFEVIY-OPRDCNLKSA-N
• XLogP: -1.01
• TPSA: 156.97 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.41
LogP ≤ 5	-1.01
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of C14H21N4O7S?

The IUPAC name of C14H21N4O7S (CID 156588676) is not available.

What is the SMILES notation for C14H21N4O7S?

The canonical SMILES for C14H21N4O7S is [O]C1=C2C[C@@H](CC[C@H]2C(=O)NNC(=O)[C@@H]2CCCNC2)N1OS(=O)(=O)O.

What is the InChIKey of C14H21N4O7S?

The InChIKey is MIIYUSYIHFEVIY-OPRDCNLKSA-N. The full InChI is InChI=1S/C14H21N4O7S/c19-12(8-2-1-5-15-7-8)16-17-13(20)10-4-3-9-6-11(10)14(21)18(9)25-26(22,23)24/h8-10,15H,1-7H2,(H,16,19)(H,17,20)(H,22,23,24)/t8-,9-,10-/m1/s1.

What are the key properties of C14H21N4O7S?

C14H21N4O7S has a molecular weight of 389.41 g/mol, XLogP of -1.01, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for C14H21N4O7S is sourced from PubChem (CID 156588676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156588676 — identifiers, structure, computed properties (public domain)

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