3-(dipropylamino)propyl carbamimidothioate

C10H23N3S — CID 19031566

IUPAC3-(dipropylamino)propyl carbamimidothioate
SMILES[H]/N=C(\N)SCCCN(CCC)CCC
InChIInChI=1S/C10H23N3S/c1-3-6-13(7-4-2)8-5-9-14-10(11)12/h3-9H2,1-2H3,(H3,11,12)
InChIKeyZMCRNIXQTOVFFF-UHFFFAOYSA-N
MW217.38 g/mol
LogP2.13
Rot. Bonds8

About 3-(dipropylamino)propyl carbamimidothioate

3-(dipropylamino)propyl carbamimidothioate (PubChem CID 19031566) has the molecular formula C10H23N3S and a molecular weight of 217.38 g/mol. Its IUPAC name is 3-(dipropylamino)propyl carbamimidothioate.

Molecular Properties

Compound Name3-(dipropylamino)propyl carbamimidothioate
PubChem CID19031566
Molecular FormulaC10H23N3S
Molecular Weight217.38 g/mol
Exact Mass217.16
IUPAC Name3-(dipropylamino)propyl carbamimidothioate
SMILES[H]/N=C(\N)SCCCN(CCC)CCC
InChIInChI=1S/C10H23N3S/c1-3-6-13(7-4-2)8-5-9-14-10(11)12/h3-9H2,1-2H3,(H3,11,12)
InChIKeyZMCRNIXQTOVFFF-UHFFFAOYSA-N
XLogP2.13
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 52.13
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 3-(dipropylamino)propyl carbamimidothioate 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 3-(dipropylamino)propyl carbamimidothioate?
The IUPAC name of 3-(dipropylamino)propyl carbamimidothioate (CID 19031566) is 3-(dipropylamino)propyl carbamimidothioate.
What is the SMILES notation for 3-(dipropylamino)propyl carbamimidothioate?
The canonical SMILES for 3-(dipropylamino)propyl carbamimidothioate is [H]/N=C(\N)SCCCN(CCC)CCC.
What is the InChIKey of 3-(dipropylamino)propyl carbamimidothioate?
The InChIKey is ZMCRNIXQTOVFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3S/c1-3-6-13(7-4-2)8-5-9-14-10(11)12/h3-9H2,1-2H3,(H3,11,12).
What are the key properties of 3-(dipropylamino)propyl carbamimidothioate?
3-(dipropylamino)propyl carbamimidothioate has a molecular weight of 217.38 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dipropylamino)propyl carbamimidothioate is sourced from PubChem (CID 19031566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).