N-[[[dimethylamino(ethylsulfanyl)methyl]amino]methyl]-N'-methylmethanimidamide

C8H20N4S — CID 123494037

IUPACN-[[[dimethylamino(ethylsulfanyl)methyl]amino]methyl]-N'-methylmethanimidamide
SMILESCCSC(NCN/C=N/C)N(C)C
InChIInChI=1S/C8H20N4S/c1-5-13-8(12(3)4)11-7-10-6-9-2/h6,8,11H,5,7H2,1-4H3,(H,9,10)
InChIKeyFTOPPMWFXMKQAS-UHFFFAOYSA-N
MW204.34 g/mol
LogP0.38
Rot. Bonds7

About N-[[[dimethylamino(ethylsulfanyl)methyl]amino]methyl]-N'-methylmethanimidamide

N-[[[dimethylamino(ethylsulfanyl)methyl]amino]methyl]-N'-methylmethanimidamide (PubChem CID 123494037) has the molecular formula C8H20N4S and a molecular weight of 204.34 g/mol. Its IUPAC name is N-[[[dimethylamino(ethylsulfanyl)methyl]amino]methyl]-N'-methylmethanimidamide.

Molecular Properties

Compound NameN-[[[dimethylamino(ethylsulfanyl)methyl]amino]methyl]-N'-methylmethanimidamide
PubChem CID123494037
Molecular FormulaC8H20N4S
Molecular Weight204.34 g/mol
Exact Mass204.14
IUPAC NameN-[[[dimethylamino(ethylsulfanyl)methyl]amino]methyl]-N'-methylmethanimidamide
SMILESCCSC(NCN/C=N/C)N(C)C
InChIInChI=1S/C8H20N4S/c1-5-13-8(12(3)4)11-7-10-6-9-2/h6,8,11H,5,7H2,1-4H3,(H,9,10)
InChIKeyFTOPPMWFXMKQAS-UHFFFAOYSA-N
XLogP0.38
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[1-(dimethylamino)-2-(methylamino)ethyl]-N'-methylmethanimidamide
CID 142202873
N'-methyl-N-[2-(methylamino)ethyl]methanimidamide
CID 142151243
N-(aminomethyl)-N'-methylmethanimidamide
CID 123185735
N-[2-[di(propan-2-yl)amino]ethyl]-N'-methylmethanimidamide
CID 89221528
potassium;N,N'-dimethylmethanimidamide;hydride
CID 173129967
(2R)-N-methyl-2-phosphanylpropan-1-amine
CID 171624131
N-methyl-2-[methyl(methylamino)amino]propan-1-amine
CID 147867609
N'-methyl-N-pentan-3-ylmethanimidamide
CID 146960213
N-[4-[ethyl(methyl)amino]butan-2-yl]-N'-methylmethanimidamide
CID 139506562
N-(2-ethylsulfanylethyl)-N,N',2-trimethylpropane-1,3-diamine
CID 106915866
N'-methyl-N-(methylamino)methanimidamide
CID 91075013
1-ethylsulfanyl-3-(methylamino)propane-1-thiol
CID 87497930

Frequently Asked Questions

What is the IUPAC name of N-[[[dimethylamino(ethylsulfanyl)methyl]amino]methyl]-N'-methylmethanimidamide?
The IUPAC name of N-[[[dimethylamino(ethylsulfanyl)methyl]amino]methyl]-N'-methylmethanimidamide (CID 123494037) is N-[[[dimethylamino(ethylsulfanyl)methyl]amino]methyl]-N'-methylmethanimidamide.
What is the SMILES notation for N-[[[dimethylamino(ethylsulfanyl)methyl]amino]methyl]-N'-methylmethanimidamide?
The canonical SMILES for N-[[[dimethylamino(ethylsulfanyl)methyl]amino]methyl]-N'-methylmethanimidamide is CCSC(NCN/C=N/C)N(C)C.
What is the InChIKey of N-[[[dimethylamino(ethylsulfanyl)methyl]amino]methyl]-N'-methylmethanimidamide?
The InChIKey is FTOPPMWFXMKQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4S/c1-5-13-8(12(3)4)11-7-10-6-9-2/h6,8,11H,5,7H2,1-4H3,(H,9,10).
What are the key properties of N-[[[dimethylamino(ethylsulfanyl)methyl]amino]methyl]-N'-methylmethanimidamide?
N-[[[dimethylamino(ethylsulfanyl)methyl]amino]methyl]-N'-methylmethanimidamide has a molecular weight of 204.34 g/mol, XLogP of 0.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[[dimethylamino(ethylsulfanyl)methyl]amino]methyl]-N'-methylmethanimidamide is sourced from PubChem (CID 123494037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).