1-butylpiperidine;1,2-dihydrotetrazole-5-thione

C10H21N5S — CID 174749959

IUPAC1-butylpiperidine;1,2-dihydrotetrazole-5-thione
SMILESCCCCN1CCCCC1.S=c1nn[nH][nH]1
InChIInChI=1S/C9H19N.CH2N4S/c1-2-3-7-10-8-5-4-6-9-10;6-1-2-4-5-3-1/h2-9H2,1H3;(H2,2,3,4,5,6)
InChIKeyGVHDUYDGMVLQAR-UHFFFAOYSA-N
MW243.38 g/mol
LogP2.13
Rot. Bonds3

About 1-butylpiperidine;1,2-dihydrotetrazole-5-thione

1-butylpiperidine;1,2-dihydrotetrazole-5-thione (PubChem CID 174749959) has the molecular formula C10H21N5S and a molecular weight of 243.38 g/mol. Its IUPAC name is 1-butylpiperidine;1,2-dihydrotetrazole-5-thione.

Molecular Properties

Compound Name1-butylpiperidine;1,2-dihydrotetrazole-5-thione
PubChem CID174749959
Molecular FormulaC10H21N5S
Molecular Weight243.38 g/mol
Exact Mass243.15
IUPAC Name1-butylpiperidine;1,2-dihydrotetrazole-5-thione
SMILESCCCCN1CCCCC1.S=c1nn[nH][nH]1
InChIInChI=1S/C9H19N.CH2N4S/c1-2-3-7-10-8-5-4-6-9-10;6-1-2-4-5-3-1/h2-9H2,1H3;(H2,2,3,4,5,6)
InChIKeyGVHDUYDGMVLQAR-UHFFFAOYSA-N
XLogP2.13
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-butylpiperidine;1,2-dihydrotetrazole-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-Ethylpiperidin-1-ium-1-yl)thiourea
CID 18537278
1,1-Dimethyl-3-piperidin-1-ylthiourea
CID 88010703

Frequently Asked Questions

What is the IUPAC name of 1-butylpiperidine;1,2-dihydrotetrazole-5-thione?
The IUPAC name of 1-butylpiperidine;1,2-dihydrotetrazole-5-thione (CID 174749959) is 1-butylpiperidine;1,2-dihydrotetrazole-5-thione.
What is the SMILES notation for 1-butylpiperidine;1,2-dihydrotetrazole-5-thione?
The canonical SMILES for 1-butylpiperidine;1,2-dihydrotetrazole-5-thione is CCCCN1CCCCC1.S=c1nn[nH][nH]1.
What is the InChIKey of 1-butylpiperidine;1,2-dihydrotetrazole-5-thione?
The InChIKey is GVHDUYDGMVLQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.CH2N4S/c1-2-3-7-10-8-5-4-6-9-10;6-1-2-4-5-3-1/h2-9H2,1H3;(H2,2,3,4,5,6).
What are the key properties of 1-butylpiperidine;1,2-dihydrotetrazole-5-thione?
1-butylpiperidine;1,2-dihydrotetrazole-5-thione has a molecular weight of 243.38 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylpiperidine;1,2-dihydrotetrazole-5-thione is sourced from PubChem (CID 174749959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).