N'-[amino(methylsulfanyl)methyl]-N,N-dimethylethanimidamide

C6H15N3S — CID 76789570

IUPACN'-[amino(methylsulfanyl)methyl]-N,N-dimethylethanimidamide
SMILESCSC(N)N=C(C)N(C)C
InChIInChI=1S/C6H15N3S/c1-5(9(2)3)8-6(7)10-4/h6H,7H2,1-4H3
InChIKeyUYRUWCABVUUFME-UHFFFAOYSA-N
MW161.27 g/mol
LogP0.57
Rot. Bonds2

About N'-[amino(methylsulfanyl)methyl]-N,N-dimethylethanimidamide

N'-[amino(methylsulfanyl)methyl]-N,N-dimethylethanimidamide (PubChem CID 76789570) has the molecular formula C6H15N3S and a molecular weight of 161.27 g/mol. Its IUPAC name is N'-[amino(methylsulfanyl)methyl]-N,N-dimethylethanimidamide.

Molecular Properties

Compound NameN'-[amino(methylsulfanyl)methyl]-N,N-dimethylethanimidamide
PubChem CID76789570
Molecular FormulaC6H15N3S
Molecular Weight161.27 g/mol
Exact Mass161.10
IUPAC NameN'-[amino(methylsulfanyl)methyl]-N,N-dimethylethanimidamide
SMILESCSC(N)N=C(C)N(C)C
InChIInChI=1S/C6H15N3S/c1-5(9(2)3)8-6(7)10-4/h6H,7H2,1-4H3
InChIKeyUYRUWCABVUUFME-UHFFFAOYSA-N
XLogP0.57
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-N,N-dimethylethanimidamide
CID 6308604
methyl N-methylethanimidothioate;N,N,N'-trimethylethanimidamide
CID 91049347
N-[1-(dimethylamino)ethylidene]ethanimidamide
CID 88533812
1-methyl-1-methylsulfanylhydrazine
CID 158947899
[[amino(dimethylamino)methylidene]amino]-trihydroxyphosphanium
CID 146807704
tetrakis[bis(dimethylamino)methylideneamino]phosphanium chloride
CID 160570249
2-(1-aminoethylideneamino)-N,N-dimethylpropanamide
CID 63173364
1-[1-(dimethylamino)ethylidene]-3-propan-2-ylurea
CID 123219297
N-amino-N-methylhydroxylamine
CID 15168490
[amino(methylsulfanyl)methyl]azanium
CID 85496892
azane;N,N-dimethylacetamide
CID 161145572
N,N-dimethyl-N'-methylphosphonoylethanimidamide;yttrium
CID 147315573

Frequently Asked Questions

What is the IUPAC name of N'-[amino(methylsulfanyl)methyl]-N,N-dimethylethanimidamide?
The IUPAC name of N'-[amino(methylsulfanyl)methyl]-N,N-dimethylethanimidamide (CID 76789570) is N'-[amino(methylsulfanyl)methyl]-N,N-dimethylethanimidamide.
What is the SMILES notation for N'-[amino(methylsulfanyl)methyl]-N,N-dimethylethanimidamide?
The canonical SMILES for N'-[amino(methylsulfanyl)methyl]-N,N-dimethylethanimidamide is CSC(N)N=C(C)N(C)C.
What is the InChIKey of N'-[amino(methylsulfanyl)methyl]-N,N-dimethylethanimidamide?
The InChIKey is UYRUWCABVUUFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3S/c1-5(9(2)3)8-6(7)10-4/h6H,7H2,1-4H3.
What are the key properties of N'-[amino(methylsulfanyl)methyl]-N,N-dimethylethanimidamide?
N'-[amino(methylsulfanyl)methyl]-N,N-dimethylethanimidamide has a molecular weight of 161.27 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[amino(methylsulfanyl)methyl]-N,N-dimethylethanimidamide is sourced from PubChem (CID 76789570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).