N-[cyclopropylmethyl(propyl)carbamothioyl]cyclopropanecarboxamide

C12H20N2OS — CID 2421810

IUPACN-[cyclopropylmethyl(propyl)carbamothioyl]cyclopropanecarboxamide
SMILESCCCN(CC1CC1)C(=S)NC(=O)C1CC1
InChIInChI=1S/C12H20N2OS/c1-2-7-14(8-9-3-4-9)12(16)13-11(15)10-5-6-10/h9-10H,2-8H2,1H3,(H,13,15,16)
InChIKeyPALRSKUBJADIAM-UHFFFAOYSA-N
MW240.37 g/mol
LogP1.92
Rot. Bonds5

About N-[cyclopropylmethyl(propyl)carbamothioyl]cyclopropanecarboxamide

N-[cyclopropylmethyl(propyl)carbamothioyl]cyclopropanecarboxamide (PubChem CID 2421810) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-[cyclopropylmethyl(propyl)carbamothioyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[cyclopropylmethyl(propyl)carbamothioyl]cyclopropanecarboxamide
PubChem CID2421810
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-[cyclopropylmethyl(propyl)carbamothioyl]cyclopropanecarboxamide
SMILESCCCN(CC1CC1)C(=S)NC(=O)C1CC1
InChIInChI=1S/C12H20N2OS/c1-2-7-14(8-9-3-4-9)12(16)13-11(15)10-5-6-10/h9-10H,2-8H2,1H3,(H,13,15,16)
InChIKeyPALRSKUBJADIAM-UHFFFAOYSA-N
XLogP1.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[cyclopropylmethyl(propyl)carbamothioyl]cyclopropanecarboxamide 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 N-[cyclopropylmethyl(propyl)carbamothioyl]cyclopropanecarboxamide?
The IUPAC name of N-[cyclopropylmethyl(propyl)carbamothioyl]cyclopropanecarboxamide (CID 2421810) is N-[cyclopropylmethyl(propyl)carbamothioyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[cyclopropylmethyl(propyl)carbamothioyl]cyclopropanecarboxamide?
The canonical SMILES for N-[cyclopropylmethyl(propyl)carbamothioyl]cyclopropanecarboxamide is CCCN(CC1CC1)C(=S)NC(=O)C1CC1.
What is the InChIKey of N-[cyclopropylmethyl(propyl)carbamothioyl]cyclopropanecarboxamide?
The InChIKey is PALRSKUBJADIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-2-7-14(8-9-3-4-9)12(16)13-11(15)10-5-6-10/h9-10H,2-8H2,1H3,(H,13,15,16).
What are the key properties of N-[cyclopropylmethyl(propyl)carbamothioyl]cyclopropanecarboxamide?
N-[cyclopropylmethyl(propyl)carbamothioyl]cyclopropanecarboxamide has a molecular weight of 240.37 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropylmethyl(propyl)carbamothioyl]cyclopropanecarboxamide is sourced from PubChem (CID 2421810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).