1-[4-(dimethylamino)butyl]-2H-tetrazole-5-thione

C7H15N5S — CID 18341691

IUPAC1-[4-(dimethylamino)butyl]-2H-tetrazole-5-thione
SMILESCN(C)CCCCn1[nH]nnc1=S
InChIInChI=1S/C7H15N5S/c1-11(2)5-3-4-6-12-7(13)8-9-10-12/h3-6H2,1-2H3,(H,8,10,13)
InChIKeySGYXVCBMYFTSLP-UHFFFAOYSA-N
MW201.30 g/mol
LogP0.68
Rot. Bonds5

About 1-[4-(dimethylamino)butyl]-2H-tetrazole-5-thione

1-[4-(dimethylamino)butyl]-2H-tetrazole-5-thione (PubChem CID 18341691) has the molecular formula C7H15N5S and a molecular weight of 201.30 g/mol. Its IUPAC name is 1-[4-(dimethylamino)butyl]-2H-tetrazole-5-thione.

Molecular Properties

Compound Name1-[4-(dimethylamino)butyl]-2H-tetrazole-5-thione
PubChem CID18341691
Molecular FormulaC7H15N5S
Molecular Weight201.30 g/mol
Exact Mass201.10
IUPAC Name1-[4-(dimethylamino)butyl]-2H-tetrazole-5-thione
SMILESCN(C)CCCCn1[nH]nnc1=S
InChIInChI=1S/C7H15N5S/c1-11(2)5-3-4-6-12-7(13)8-9-10-12/h3-6H2,1-2H3,(H,8,10,13)
InChIKeySGYXVCBMYFTSLP-UHFFFAOYSA-N
XLogP0.68
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.30
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[4-(dimethylamino)butyl]-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

Related Compounds

1-(2-(dimethylamino)ethyl)-1,2-dihydro-5H-tetrazole-5-thione
CID 3017268
1-(2-methylpropyl)-2,5-dihydro-1H-1,2,3,4-tetrazole-5-thione
CID 8902202
1,2-Dihydro-1-(1-methylethyl)-5H-tetrazole-5-thione
CID 7131396
1-Propyl-1H-tetrazole-5-thiol
CID 8831747
1-Butyl-5-mercaptotetrazole
CID 10931710
Iodobutyl-sulfanyltetrazole
CID 132427253
1-(4-fluorobutyl)-2H-tetrazole-5-thione
CID 130592980
1-[2-(Dipropylamino)ethyl]-1,2-dihydro-5H-tetrazole-5-thione
CID 15051276
1-Hexyl-1,2-dihydro-5H-tetrazole-5-thione
CID 15765993
1-[1-(dimethylamino)ethyl]-2H-tetrazole-5-thione
CID 18317168
1-[3-(diethylamino)propyl]-2H-tetrazole-5-thione
CID 18341684
1-[4-(diethylamino)butyl]-2H-tetrazole-5-thione
CID 18341688

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)butyl]-2H-tetrazole-5-thione?
The IUPAC name of 1-[4-(dimethylamino)butyl]-2H-tetrazole-5-thione (CID 18341691) is 1-[4-(dimethylamino)butyl]-2H-tetrazole-5-thione.
What is the SMILES notation for 1-[4-(dimethylamino)butyl]-2H-tetrazole-5-thione?
The canonical SMILES for 1-[4-(dimethylamino)butyl]-2H-tetrazole-5-thione is CN(C)CCCCn1[nH]nnc1=S.
What is the InChIKey of 1-[4-(dimethylamino)butyl]-2H-tetrazole-5-thione?
The InChIKey is SGYXVCBMYFTSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5S/c1-11(2)5-3-4-6-12-7(13)8-9-10-12/h3-6H2,1-2H3,(H,8,10,13).
What are the key properties of 1-[4-(dimethylamino)butyl]-2H-tetrazole-5-thione?
1-[4-(dimethylamino)butyl]-2H-tetrazole-5-thione has a molecular weight of 201.30 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)butyl]-2H-tetrazole-5-thione is sourced from PubChem (CID 18341691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).