2-[(5-amino-5-sulfanylidenepentyl)-methylamino]-N,N-diethylacetamide

C12H25N3OS — CID 54966442

IUPAC2-[(5-amino-5-sulfanylidenepentyl)-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)CCCCC(N)=S
InChIInChI=1S/C12H25N3OS/c1-4-15(5-2)12(16)10-14(3)9-7-6-8-11(13)17/h4-10H2,1-3H3,(H2,13,17)
InChIKeyUESVMXIMRDDXEN-UHFFFAOYSA-N
MW259.42 g/mol
LogP1.24
Rot. Bonds9

About 2-[(5-amino-5-sulfanylidenepentyl)-methylamino]-N,N-diethylacetamide

2-[(5-amino-5-sulfanylidenepentyl)-methylamino]-N,N-diethylacetamide (PubChem CID 54966442) has the molecular formula C12H25N3OS and a molecular weight of 259.42 g/mol. Its IUPAC name is 2-[(5-amino-5-sulfanylidenepentyl)-methylamino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(5-amino-5-sulfanylidenepentyl)-methylamino]-N,N-diethylacetamide
PubChem CID54966442
Molecular FormulaC12H25N3OS
Molecular Weight259.42 g/mol
Exact Mass259.17
IUPAC Name2-[(5-amino-5-sulfanylidenepentyl)-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)CCCCC(N)=S
InChIInChI=1S/C12H25N3OS/c1-4-15(5-2)12(16)10-14(3)9-7-6-8-11(13)17/h4-10H2,1-3H3,(H2,13,17)
InChIKeyUESVMXIMRDDXEN-UHFFFAOYSA-N
XLogP1.24
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(5-amino-5-sulfanylidenepentyl)-methylamino]-N,N-diethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-aminobutyl(methyl)amino]-N,N-diethylacetamide
CID 61453098
N,N-diethyl-2-[hexyl(methyl)amino]acetamide
CID 86911436
N,N-diethyl-2-[methyl(propyl)amino]acetamide
CID 135175911
2-[(3-amino-3-sulfanylidenepropyl)-cyclopropylamino]-N,N-diethylacetamide
CID 54997632
N,N-diethyl-2-[methyl-(4-oxo-4-phenylbutyl)amino]acetamide
CID 60695015
3-[dodecyl(methyl)amino]propanethioamide
CID 63515133
N-(3-amino-3-sulfanylidenepropyl)-3-[3-(dimethylamino)propyl-methylamino]-N-methylpropanamide
CID 55225987
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-3-methoxypropanamide
CID 62588562
2-[(5-hydrazinyl-5-oxopentyl)-methylamino]-N,N-dimethylacetamide
CID 63572911
N-(3-amino-3-sulfanylidenepropyl)-N-methylnonanamide
CID 65449539
N,N-diethyl-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 62332611
2-[methyl(tridecyl)amino]acetamide
CID 175737609

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-5-sulfanylidenepentyl)-methylamino]-N,N-diethylacetamide?
The IUPAC name of 2-[(5-amino-5-sulfanylidenepentyl)-methylamino]-N,N-diethylacetamide (CID 54966442) is 2-[(5-amino-5-sulfanylidenepentyl)-methylamino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(5-amino-5-sulfanylidenepentyl)-methylamino]-N,N-diethylacetamide?
The canonical SMILES for 2-[(5-amino-5-sulfanylidenepentyl)-methylamino]-N,N-diethylacetamide is CCN(CC)C(=O)CN(C)CCCCC(N)=S.
What is the InChIKey of 2-[(5-amino-5-sulfanylidenepentyl)-methylamino]-N,N-diethylacetamide?
The InChIKey is UESVMXIMRDDXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3OS/c1-4-15(5-2)12(16)10-14(3)9-7-6-8-11(13)17/h4-10H2,1-3H3,(H2,13,17).
What are the key properties of 2-[(5-amino-5-sulfanylidenepentyl)-methylamino]-N,N-diethylacetamide?
2-[(5-amino-5-sulfanylidenepentyl)-methylamino]-N,N-diethylacetamide has a molecular weight of 259.42 g/mol, XLogP of 1.24, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-5-sulfanylidenepentyl)-methylamino]-N,N-diethylacetamide is sourced from PubChem (CID 54966442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).