2-methylpropyl-oxo-phenyl-(2H-tetrazol-5-ylimino)-λ6-sulfane

C11H15N5OS — CID 102322315

IUPAC2-methylpropyl-oxo-phenyl-(2H-tetrazol-5-ylimino)-λ6-sulfane
SMILESCC(C)CS(=O)(=Nc1nn[nH]n1)c1ccccc1
InChIInChI=1S/C11H15N5OS/c1-9(2)8-18(17,10-6-4-3-5-7-10)14-11-12-15-16-13-11/h3-7,9H,8H2,1-2H3,(H,12,13,15,16)
InChIKeyBRPOEWUNQKZGBS-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.01
Rot. Bonds4

About 2-methylpropyl-oxo-phenyl-(2H-tetrazol-5-ylimino)-λ6-sulfane

2-methylpropyl-oxo-phenyl-(2H-tetrazol-5-ylimino)-λ6-sulfane (PubChem CID 102322315) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-methylpropyl-oxo-phenyl-(2H-tetrazol-5-ylimino)-λ6-sulfane.

Molecular Properties

Compound Name2-methylpropyl-oxo-phenyl-(2H-tetrazol-5-ylimino)-λ6-sulfane
PubChem CID102322315
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name2-methylpropyl-oxo-phenyl-(2H-tetrazol-5-ylimino)-λ6-sulfane
SMILESCC(C)CS(=O)(=Nc1nn[nH]n1)c1ccccc1
InChIInChI=1S/C11H15N5OS/c1-9(2)8-18(17,10-6-4-3-5-7-10)14-11-12-15-16-13-11/h3-7,9H,8H2,1-2H3,(H,12,13,15,16)
InChIKeyBRPOEWUNQKZGBS-UHFFFAOYSA-N
XLogP2.01
TPSA83.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl-oxo-phenyl-(2H-tetrazol-5-ylimino)-λ6-sulfane?
The IUPAC name of 2-methylpropyl-oxo-phenyl-(2H-tetrazol-5-ylimino)-λ6-sulfane (CID 102322315) is 2-methylpropyl-oxo-phenyl-(2H-tetrazol-5-ylimino)-λ6-sulfane.
What is the SMILES notation for 2-methylpropyl-oxo-phenyl-(2H-tetrazol-5-ylimino)-λ6-sulfane?
The canonical SMILES for 2-methylpropyl-oxo-phenyl-(2H-tetrazol-5-ylimino)-λ6-sulfane is CC(C)CS(=O)(=Nc1nn[nH]n1)c1ccccc1.
What is the InChIKey of 2-methylpropyl-oxo-phenyl-(2H-tetrazol-5-ylimino)-λ6-sulfane?
The InChIKey is BRPOEWUNQKZGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-9(2)8-18(17,10-6-4-3-5-7-10)14-11-12-15-16-13-11/h3-7,9H,8H2,1-2H3,(H,12,13,15,16).
What are the key properties of 2-methylpropyl-oxo-phenyl-(2H-tetrazol-5-ylimino)-λ6-sulfane?
2-methylpropyl-oxo-phenyl-(2H-tetrazol-5-ylimino)-λ6-sulfane has a molecular weight of 265.34 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl-oxo-phenyl-(2H-tetrazol-5-ylimino)-λ6-sulfane is sourced from PubChem (CID 102322315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).