sodium;hydride;sulfane;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane

C6H15N4NaS — CID 173460302

IUPACsodium;hydride;sulfane;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
SMILESC1N2CN3CN1CN(C2)C3.S.[H-].[Na+]
InChIInChI=1S/C6H12N4.Na.H2S.H/c1-7-2-9-4-8(1)5-10(3-7)6-9;;;/h1-6H2;;1H2;/q;+1;;-1
InChIKeyQPHZSYMCMLFXNX-UHFFFAOYSA-N
MW198.27 g/mol
LogP-3.79
Rot. Bonds

About sodium;hydride;sulfane;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane

sodium;hydride;sulfane;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane (PubChem CID 173460302) has the molecular formula C6H15N4NaS and a molecular weight of 198.27 g/mol. Its IUPAC name is sodium;hydride;sulfane;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane.

Molecular Properties

Compound Namesodium;hydride;sulfane;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
PubChem CID173460302
Molecular FormulaC6H15N4NaS
Molecular Weight198.27 g/mol
Exact Mass198.09
IUPAC Namesodium;hydride;sulfane;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
SMILESC1N2CN3CN1CN(C2)C3.S.[H-].[Na+]
InChIInChI=1S/C6H12N4.Na.H2S.H/c1-7-2-9-4-8(1)5-10(3-7)6-9;;;/h1-6H2;;1H2;/q;+1;;-1
InChIKeyQPHZSYMCMLFXNX-UHFFFAOYSA-N
XLogP-3.79
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-3.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of sodium;hydride;sulfane;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane?
The IUPAC name of sodium;hydride;sulfane;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane (CID 173460302) is sodium;hydride;sulfane;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane.
What is the SMILES notation for sodium;hydride;sulfane;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane?
The canonical SMILES for sodium;hydride;sulfane;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane is C1N2CN3CN1CN(C2)C3.S.[H-].[Na+].
What is the InChIKey of sodium;hydride;sulfane;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane?
The InChIKey is QPHZSYMCMLFXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4.Na.H2S.H/c1-7-2-9-4-8(1)5-10(3-7)6-9;;;/h1-6H2;;1H2;/q;+1;;-1.
What are the key properties of sodium;hydride;sulfane;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane?
sodium;hydride;sulfane;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane has a molecular weight of 198.27 g/mol, XLogP of -3.79, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;sulfane;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane is sourced from PubChem (CID 173460302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).