N,N-dimethyl-2-[[(2-methylsulfanylethylamino)-(propan-2-ylamino)methylidene]amino]acetamide;hydroiodide

C11H25IN4OS — CID 111751159

IUPACN,N-dimethyl-2-[[(2-methylsulfanylethylamino)-(propan-2-ylamino)methylidene]amino]acetamide;hydroiodide
SMILESCSCCN/C(=N\CC(=O)N(C)C)NC(C)C.I
InChIInChI=1S/C11H24N4OS.HI/c1-9(2)14-11(12-6-7-17-5)13-8-10(16)15(3)4;/h9H,6-8H2,1-5H3,(H2,12,13,14);1H
InChIKeyILPUIITVDJAPOD-UHFFFAOYSA-N
MW388.32 g/mol
LogP1.00
Rot. Bonds6

About N,N-dimethyl-2-[[(2-methylsulfanylethylamino)-(propan-2-ylamino)methylidene]amino]acetamide;hydroiodide

N,N-dimethyl-2-[[(2-methylsulfanylethylamino)-(propan-2-ylamino)methylidene]amino]acetamide;hydroiodide (PubChem CID 111751159) has the molecular formula C11H25IN4OS and a molecular weight of 388.32 g/mol. Its IUPAC name is N,N-dimethyl-2-[[(2-methylsulfanylethylamino)-(propan-2-ylamino)methylidene]amino]acetamide;hydroiodide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[(2-methylsulfanylethylamino)-(propan-2-ylamino)methylidene]amino]acetamide;hydroiodide
PubChem CID111751159
Molecular FormulaC11H25IN4OS
Molecular Weight388.32 g/mol
Exact Mass388.08
IUPAC NameN,N-dimethyl-2-[[(2-methylsulfanylethylamino)-(propan-2-ylamino)methylidene]amino]acetamide;hydroiodide
SMILESCSCCN/C(=N\CC(=O)N(C)C)NC(C)C.I
InChIInChI=1S/C11H24N4OS.HI/c1-9(2)14-11(12-6-7-17-5)13-8-10(16)15(3)4;/h9H,6-8H2,1-5H3,(H2,12,13,14);1H
InChIKeyILPUIITVDJAPOD-UHFFFAOYSA-N
XLogP1.00
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.32
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-2-[[(propan-2-ylamino)-(propylamino)methylidene]amino]acetamide;hydroiodide
CID 111541269
N,N-dimethyl-2-[[(2-methylsulfanylethylamino)-(4-methylsulfonylbutan-2-ylamino)methylidene]amino]acetamide
CID 110047660
N,N-dimethyl-2-[[(2-phenylsulfanylethylamino)-(propan-2-ylamino)methylidene]amino]acetamide
CID 111751683
N,N-dimethyl-2-[[(2-methylsulfanylethylamino)-(prop-2-enylamino)methylidene]amino]acetamide;hydroiodide
CID 111343722
N,N-dimethyl-2-[[(2-methylsulfanylethylamino)-[1-(oxolan-3-yloxy)propan-2-ylamino]methylidene]amino]acetamide
CID 110044751
2-[[(butan-2-ylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111492032
N,N-dimethyl-2-[[(3-methylbutan-2-ylamino)-(propylamino)methylidene]amino]acetamide;hydroiodide
CID 110037266
N,N-dimethyl-2-[[(2-methylpropylamino)-(6-methylsulfanylhexylamino)methylidene]amino]acetamide
CID 110033867
N,N-dimethyl-2-[[(3-methylbutan-2-ylamino)-(propylamino)methylidene]amino]acetamide
CID 110037267
2-[[(butan-2-ylamino)-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111491785
N,N-dimethyl-2-[[(2-methylsulfanylethylamino)-[1-(3-pyrazol-1-ylphenyl)ethylamino]methylidene]amino]acetamide;hydroiodide
CID 110042720
N,N-dimethyl-2-[[(2-methylsulfanylethylamino)-(oxolan-3-ylmethylamino)methylidene]amino]acetamide;hydroiodide
CID 111907282

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[(2-methylsulfanylethylamino)-(propan-2-ylamino)methylidene]amino]acetamide;hydroiodide?
The IUPAC name of N,N-dimethyl-2-[[(2-methylsulfanylethylamino)-(propan-2-ylamino)methylidene]amino]acetamide;hydroiodide (CID 111751159) is N,N-dimethyl-2-[[(2-methylsulfanylethylamino)-(propan-2-ylamino)methylidene]amino]acetamide;hydroiodide.
What is the SMILES notation for N,N-dimethyl-2-[[(2-methylsulfanylethylamino)-(propan-2-ylamino)methylidene]amino]acetamide;hydroiodide?
The canonical SMILES for N,N-dimethyl-2-[[(2-methylsulfanylethylamino)-(propan-2-ylamino)methylidene]amino]acetamide;hydroiodide is CSCCN/C(=N\CC(=O)N(C)C)NC(C)C.I.
What is the InChIKey of N,N-dimethyl-2-[[(2-methylsulfanylethylamino)-(propan-2-ylamino)methylidene]amino]acetamide;hydroiodide?
The InChIKey is ILPUIITVDJAPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4OS.HI/c1-9(2)14-11(12-6-7-17-5)13-8-10(16)15(3)4;/h9H,6-8H2,1-5H3,(H2,12,13,14);1H.
What are the key properties of N,N-dimethyl-2-[[(2-methylsulfanylethylamino)-(propan-2-ylamino)methylidene]amino]acetamide;hydroiodide?
N,N-dimethyl-2-[[(2-methylsulfanylethylamino)-(propan-2-ylamino)methylidene]amino]acetamide;hydroiodide has a molecular weight of 388.32 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[(2-methylsulfanylethylamino)-(propan-2-ylamino)methylidene]amino]acetamide;hydroiodide is sourced from PubChem (CID 111751159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).