N-(3-amino-3-sulfanylidenepropyl)-2-cyclopropyl-N-(2-methylpropyl)propanamide

C13H24N2OS — CID 83154407

IUPACN-(3-amino-3-sulfanylidenepropyl)-2-cyclopropyl-N-(2-methylpropyl)propanamide
SMILESCC(C)CN(CCC(N)=S)C(=O)C(C)C1CC1
InChIInChI=1S/C13H24N2OS/c1-9(2)8-15(7-6-12(14)17)13(16)10(3)11-4-5-11/h9-11H,4-8H2,1-3H3,(H2,14,17)
InChIKeyFIJGYPMDNMTHNQ-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.19
Rot. Bonds7

About N-(3-amino-3-sulfanylidenepropyl)-2-cyclopropyl-N-(2-methylpropyl)propanamide

N-(3-amino-3-sulfanylidenepropyl)-2-cyclopropyl-N-(2-methylpropyl)propanamide (PubChem CID 83154407) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-2-cyclopropyl-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-2-cyclopropyl-N-(2-methylpropyl)propanamide
PubChem CID83154407
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-2-cyclopropyl-N-(2-methylpropyl)propanamide
SMILESCC(C)CN(CCC(N)=S)C(=O)C(C)C1CC1
InChIInChI=1S/C13H24N2OS/c1-9(2)8-15(7-6-12(14)17)13(16)10(3)11-4-5-11/h9-11H,4-8H2,1-3H3,(H2,14,17)
InChIKeyFIJGYPMDNMTHNQ-UHFFFAOYSA-N
XLogP2.19
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-amino-3-sulfanylidenepropyl)-2-cyclopropyl-N-(2-methylpropyl)propanamide 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-(3-amino-3-sulfanylidenepropyl)-2-cyclopropyl-N-(2-methylpropyl)propanamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-2-cyclopropyl-N-(2-methylpropyl)propanamide (CID 83154407) is N-(3-amino-3-sulfanylidenepropyl)-2-cyclopropyl-N-(2-methylpropyl)propanamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-2-cyclopropyl-N-(2-methylpropyl)propanamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-2-cyclopropyl-N-(2-methylpropyl)propanamide is CC(C)CN(CCC(N)=S)C(=O)C(C)C1CC1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-2-cyclopropyl-N-(2-methylpropyl)propanamide?
The InChIKey is FIJGYPMDNMTHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-9(2)8-15(7-6-12(14)17)13(16)10(3)11-4-5-11/h9-11H,4-8H2,1-3H3,(H2,14,17).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-2-cyclopropyl-N-(2-methylpropyl)propanamide?
N-(3-amino-3-sulfanylidenepropyl)-2-cyclopropyl-N-(2-methylpropyl)propanamide has a molecular weight of 256.41 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-2-cyclopropyl-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 83154407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).