1-cyclopropyl-3-(4-methylpiperazin-4-ium-1-yl)thiourea

C9H19N4S+ — CID 7342503

IUPAC1-cyclopropyl-3-(4-methylpiperazin-4-ium-1-yl)thiourea
SMILESC[NH+]1CCN(NC(=S)NC2CC2)CC1
InChIInChI=1S/C9H18N4S/c1-12-4-6-13(7-5-12)11-9(14)10-8-2-3-8/h8H,2-7H2,1H3,(H2,10,11,14)/p+1
InChIKeyGSWCGFDRHRZWGB-UHFFFAOYSA-O
MW215.35 g/mol
LogP-1.64
Rot. Bonds2

About 1-cyclopropyl-3-(4-methylpiperazin-4-ium-1-yl)thiourea

1-cyclopropyl-3-(4-methylpiperazin-4-ium-1-yl)thiourea (PubChem CID 7342503) has the molecular formula C9H19N4S+ and a molecular weight of 215.35 g/mol. Its IUPAC name is 1-cyclopropyl-3-(4-methylpiperazin-4-ium-1-yl)thiourea.

Molecular Properties

Compound Name1-cyclopropyl-3-(4-methylpiperazin-4-ium-1-yl)thiourea
PubChem CID7342503
Molecular FormulaC9H19N4S+
Molecular Weight215.35 g/mol
Exact Mass215.13
IUPAC Name1-cyclopropyl-3-(4-methylpiperazin-4-ium-1-yl)thiourea
SMILESC[NH+]1CCN(NC(=S)NC2CC2)CC1
InChIInChI=1S/C9H18N4S/c1-12-4-6-13(7-5-12)11-9(14)10-8-2-3-8/h8H,2-7H2,1H3,(H2,10,11,14)/p+1
InChIKeyGSWCGFDRHRZWGB-UHFFFAOYSA-O
XLogP-1.64
TPSA31.74 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.35
LogP ≤ 5-1.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-cyclopropyl-3-(4-methylpiperazin-4-ium-1-yl)thiourea 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-cyclopropyl-3-(4-methylpiperazin-4-ium-1-yl)thiourea?
The IUPAC name of 1-cyclopropyl-3-(4-methylpiperazin-4-ium-1-yl)thiourea (CID 7342503) is 1-cyclopropyl-3-(4-methylpiperazin-4-ium-1-yl)thiourea.
What is the SMILES notation for 1-cyclopropyl-3-(4-methylpiperazin-4-ium-1-yl)thiourea?
The canonical SMILES for 1-cyclopropyl-3-(4-methylpiperazin-4-ium-1-yl)thiourea is C[NH+]1CCN(NC(=S)NC2CC2)CC1.
What is the InChIKey of 1-cyclopropyl-3-(4-methylpiperazin-4-ium-1-yl)thiourea?
The InChIKey is GSWCGFDRHRZWGB-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H18N4S/c1-12-4-6-13(7-5-12)11-9(14)10-8-2-3-8/h8H,2-7H2,1H3,(H2,10,11,14)/p+1.
What are the key properties of 1-cyclopropyl-3-(4-methylpiperazin-4-ium-1-yl)thiourea?
1-cyclopropyl-3-(4-methylpiperazin-4-ium-1-yl)thiourea has a molecular weight of 215.35 g/mol, XLogP of -1.64, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(4-methylpiperazin-4-ium-1-yl)thiourea is sourced from PubChem (CID 7342503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).