N,N-dimethyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)propanamide

C11H19N3OS — CID 64865686

IUPACN,N-dimethyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)propanamide
SMILESCC(C)c1c[nH]c(=S)n1C(C)C(=O)N(C)C
InChIInChI=1S/C11H19N3OS/c1-7(2)9-6-12-11(16)14(9)8(3)10(15)13(4)5/h6-8H,1-5H3,(H,12,16)
InChIKeyOGCYMDRVTLCRED-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.32
Rot. Bonds3

About N,N-dimethyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)propanamide

N,N-dimethyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)propanamide (PubChem CID 64865686) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)propanamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)propanamide
PubChem CID64865686
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC NameN,N-dimethyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)propanamide
SMILESCC(C)c1c[nH]c(=S)n1C(C)C(=O)N(C)C
InChIInChI=1S/C11H19N3OS/c1-7(2)9-6-12-11(16)14(9)8(3)10(15)13(4)5/h6-8H,1-5H3,(H,12,16)
InChIKeyOGCYMDRVTLCRED-UHFFFAOYSA-N
XLogP2.32
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)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,N-dimethyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)propanamide?
The IUPAC name of N,N-dimethyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)propanamide (CID 64865686) is N,N-dimethyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)propanamide.
What is the SMILES notation for N,N-dimethyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)propanamide?
The canonical SMILES for N,N-dimethyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)propanamide is CC(C)c1c[nH]c(=S)n1C(C)C(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)propanamide?
The InChIKey is OGCYMDRVTLCRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-7(2)9-6-12-11(16)14(9)8(3)10(15)13(4)5/h6-8H,1-5H3,(H,12,16).
What are the key properties of N,N-dimethyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)propanamide?
N,N-dimethyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)propanamide has a molecular weight of 241.36 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)propanamide is sourced from PubChem (CID 64865686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).