1-[1-(dimethylamino)-3-methylbutan-2-yl]-2H-tetrazole-5-thione

C8H17N5S — CID 61478202

IUPAC1-[1-(dimethylamino)-3-methylbutan-2-yl]-2H-tetrazole-5-thione
SMILESCC(C)C(CN(C)C)n1[nH]nnc1=S
InChIInChI=1S/C8H17N5S/c1-6(2)7(5-12(3)4)13-8(14)9-10-11-13/h6-7H,5H2,1-4H3,(H,9,11,14)
InChIKeyFDGQBNFPZGYTLH-UHFFFAOYSA-N
MW215.33 g/mol
LogP1.09
Rot. Bonds4

About 1-[1-(dimethylamino)-3-methylbutan-2-yl]-2H-tetrazole-5-thione

1-[1-(dimethylamino)-3-methylbutan-2-yl]-2H-tetrazole-5-thione (PubChem CID 61478202) has the molecular formula C8H17N5S and a molecular weight of 215.33 g/mol. Its IUPAC name is 1-[1-(dimethylamino)-3-methylbutan-2-yl]-2H-tetrazole-5-thione.

Molecular Properties

Compound Name1-[1-(dimethylamino)-3-methylbutan-2-yl]-2H-tetrazole-5-thione
PubChem CID61478202
Molecular FormulaC8H17N5S
Molecular Weight215.33 g/mol
Exact Mass215.12
IUPAC Name1-[1-(dimethylamino)-3-methylbutan-2-yl]-2H-tetrazole-5-thione
SMILESCC(C)C(CN(C)C)n1[nH]nnc1=S
InChIInChI=1S/C8H17N5S/c1-6(2)7(5-12(3)4)13-8(14)9-10-11-13/h6-7H,5H2,1-4H3,(H,9,11,14)
InChIKeyFDGQBNFPZGYTLH-UHFFFAOYSA-N
XLogP1.09
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.33
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[1-(dimethylamino)-3-methylbutan-2-yl]-2H-tetrazole-5-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)-3-methylbutan-2-yl]-2H-tetrazole-5-thione?
The IUPAC name of 1-[1-(dimethylamino)-3-methylbutan-2-yl]-2H-tetrazole-5-thione (CID 61478202) is 1-[1-(dimethylamino)-3-methylbutan-2-yl]-2H-tetrazole-5-thione.
What is the SMILES notation for 1-[1-(dimethylamino)-3-methylbutan-2-yl]-2H-tetrazole-5-thione?
The canonical SMILES for 1-[1-(dimethylamino)-3-methylbutan-2-yl]-2H-tetrazole-5-thione is CC(C)C(CN(C)C)n1[nH]nnc1=S.
What is the InChIKey of 1-[1-(dimethylamino)-3-methylbutan-2-yl]-2H-tetrazole-5-thione?
The InChIKey is FDGQBNFPZGYTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5S/c1-6(2)7(5-12(3)4)13-8(14)9-10-11-13/h6-7H,5H2,1-4H3,(H,9,11,14).
What are the key properties of 1-[1-(dimethylamino)-3-methylbutan-2-yl]-2H-tetrazole-5-thione?
1-[1-(dimethylamino)-3-methylbutan-2-yl]-2H-tetrazole-5-thione has a molecular weight of 215.33 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)-3-methylbutan-2-yl]-2H-tetrazole-5-thione is sourced from PubChem (CID 61478202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).