sodium;hydride;(1S,5R)-2-[(1-methyltetrazol-5-yl)methylcarbamoyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid

C9H14N7NaO5S — CID 173245783

IUPACsodium;hydride;(1S,5R)-2-[(1-methyltetrazol-5-yl)methylcarbamoyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid
SMILESCn1nnnc1CNC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S(=O)(=O)O.[H-].[Na+]
InChIInChI=1S/C9H13N7O5S.Na.H/c1-14-6(11-12-13-14)4-10-9(18)15-3-2-5-7(15)8(17)16(5)22(19,20)21;;/h5,7H,2-4H2,1H3,(H,10,18)(H,19,20,21);;/q;+1;-1/t5-,7+;;/m1../s1
InChIKeyCCMXJBXYPPVSQZ-DSLNOYGUSA-N
MW355.31 g/mol
LogP-5.38
Rot. Bonds3

About sodium;hydride;(1S,5R)-2-[(1-methyltetrazol-5-yl)methylcarbamoyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid

sodium;hydride;(1S,5R)-2-[(1-methyltetrazol-5-yl)methylcarbamoyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid (PubChem CID 173245783) has the molecular formula C9H14N7NaO5S and a molecular weight of 355.31 g/mol. Its IUPAC name is sodium;hydride;(1S,5R)-2-[(1-methyltetrazol-5-yl)methylcarbamoyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid.

Molecular Properties

Compound Namesodium;hydride;(1S,5R)-2-[(1-methyltetrazol-5-yl)methylcarbamoyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid
PubChem CID173245783
Molecular FormulaC9H14N7NaO5S
Molecular Weight355.31 g/mol
Exact Mass355.07
IUPAC Namesodium;hydride;(1S,5R)-2-[(1-methyltetrazol-5-yl)methylcarbamoyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid
SMILESCn1nnnc1CNC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S(=O)(=O)O.[H-].[Na+]
InChIInChI=1S/C9H13N7O5S.Na.H/c1-14-6(11-12-13-14)4-10-9(18)15-3-2-5-7(15)8(17)16(5)22(19,20)21;;/h5,7H,2-4H2,1H3,(H,10,18)(H,19,20,21);;/q;+1;-1/t5-,7+;;/m1../s1
InChIKeyCCMXJBXYPPVSQZ-DSLNOYGUSA-N
XLogP-5.38
TPSA150.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.31
LogP ≤ 5-5.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium;hydride;(1S,5R)-2-[(1-methyltetrazol-5-yl)methylcarbamoyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid?
The IUPAC name of sodium;hydride;(1S,5R)-2-[(1-methyltetrazol-5-yl)methylcarbamoyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid (CID 173245783) is sodium;hydride;(1S,5R)-2-[(1-methyltetrazol-5-yl)methylcarbamoyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid.
What is the SMILES notation for sodium;hydride;(1S,5R)-2-[(1-methyltetrazol-5-yl)methylcarbamoyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid?
The canonical SMILES for sodium;hydride;(1S,5R)-2-[(1-methyltetrazol-5-yl)methylcarbamoyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid is Cn1nnnc1CNC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S(=O)(=O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;(1S,5R)-2-[(1-methyltetrazol-5-yl)methylcarbamoyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid?
The InChIKey is CCMXJBXYPPVSQZ-DSLNOYGUSA-N. The full InChI is InChI=1S/C9H13N7O5S.Na.H/c1-14-6(11-12-13-14)4-10-9(18)15-3-2-5-7(15)8(17)16(5)22(19,20)21;;/h5,7H,2-4H2,1H3,(H,10,18)(H,19,20,21);;/q;+1;-1/t5-,7+;;/m1../s1.
What are the key properties of sodium;hydride;(1S,5R)-2-[(1-methyltetrazol-5-yl)methylcarbamoyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid?
sodium;hydride;(1S,5R)-2-[(1-methyltetrazol-5-yl)methylcarbamoyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid has a molecular weight of 355.31 g/mol, XLogP of -5.38, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;(1S,5R)-2-[(1-methyltetrazol-5-yl)methylcarbamoyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid is sourced from PubChem (CID 173245783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).