4-piperidin-1-ylbutyl carbamimidothioate;dihydrobromide

C10H23Br2N3S — CID 24844033

IUPAC4-piperidin-1-ylbutyl carbamimidothioate;dihydrobromide
SMILESBr.Br.[H]/N=C(\N)SCCCCN1CCCCC1
InChIInChI=1S/C10H21N3S.2BrH/c11-10(12)14-9-5-4-8-13-6-2-1-3-7-13;;/h1-9H2,(H3,11,12);2*1H
InChIKeyMRQOXOAYYQZMSC-UHFFFAOYSA-N
MW377.19 g/mol
LogP3.03
Rot. Bonds5

About 4-piperidin-1-ylbutyl carbamimidothioate;dihydrobromide

4-piperidin-1-ylbutyl carbamimidothioate;dihydrobromide (PubChem CID 24844033) has the molecular formula C10H23Br2N3S and a molecular weight of 377.19 g/mol. Its IUPAC name is 4-piperidin-1-ylbutyl carbamimidothioate;dihydrobromide.

Molecular Properties

Compound Name4-piperidin-1-ylbutyl carbamimidothioate;dihydrobromide
PubChem CID24844033
Molecular FormulaC10H23Br2N3S
Molecular Weight377.19 g/mol
Exact Mass375.00
IUPAC Name4-piperidin-1-ylbutyl carbamimidothioate;dihydrobromide
SMILESBr.Br.[H]/N=C(\N)SCCCCN1CCCCC1
InChIInChI=1S/C10H21N3S.2BrH/c11-10(12)14-9-5-4-8-13-6-2-1-3-7-13;;/h1-9H2,(H3,11,12);2*1H
InChIKeyMRQOXOAYYQZMSC-UHFFFAOYSA-N
XLogP3.03
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.19
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-piperidin-1-ylbutyl carbamimidothioate;dihydrobromide 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 4-piperidin-1-ylbutyl carbamimidothioate;dihydrobromide?
The IUPAC name of 4-piperidin-1-ylbutyl carbamimidothioate;dihydrobromide (CID 24844033) is 4-piperidin-1-ylbutyl carbamimidothioate;dihydrobromide.
What is the SMILES notation for 4-piperidin-1-ylbutyl carbamimidothioate;dihydrobromide?
The canonical SMILES for 4-piperidin-1-ylbutyl carbamimidothioate;dihydrobromide is Br.Br.[H]/N=C(\N)SCCCCN1CCCCC1.
What is the InChIKey of 4-piperidin-1-ylbutyl carbamimidothioate;dihydrobromide?
The InChIKey is MRQOXOAYYQZMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3S.2BrH/c11-10(12)14-9-5-4-8-13-6-2-1-3-7-13;;/h1-9H2,(H3,11,12);2*1H.
What are the key properties of 4-piperidin-1-ylbutyl carbamimidothioate;dihydrobromide?
4-piperidin-1-ylbutyl carbamimidothioate;dihydrobromide has a molecular weight of 377.19 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-ylbutyl carbamimidothioate;dihydrobromide is sourced from PubChem (CID 24844033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).