methyl N'-amino-N-[ethyl(methyl)amino]-N-methylcarbamimidothioate

C6H16N4S — CID 172971760

IUPACmethyl N'-amino-N-[ethyl(methyl)amino]-N-methylcarbamimidothioate
SMILESCCN(C)N(C)/C(=N\N)SC
InChIInChI=1S/C6H16N4S/c1-5-9(2)10(3)6(8-7)11-4/h5,7H2,1-4H3/b8-6+
InChIKeyBOFHCPNFKDYUEE-SOFGYWHQSA-N
MW176.29 g/mol
LogP0.38
Rot. Bonds2

About methyl N'-amino-N-[ethyl(methyl)amino]-N-methylcarbamimidothioate

methyl N'-amino-N-[ethyl(methyl)amino]-N-methylcarbamimidothioate (PubChem CID 172971760) has the molecular formula C6H16N4S and a molecular weight of 176.29 g/mol. Its IUPAC name is methyl N'-amino-N-[ethyl(methyl)amino]-N-methylcarbamimidothioate.

Molecular Properties

Compound Namemethyl N'-amino-N-[ethyl(methyl)amino]-N-methylcarbamimidothioate
PubChem CID172971760
Molecular FormulaC6H16N4S
Molecular Weight176.29 g/mol
Exact Mass176.11
IUPAC Namemethyl N'-amino-N-[ethyl(methyl)amino]-N-methylcarbamimidothioate
SMILESCCN(C)N(C)/C(=N\N)SC
InChIInChI=1S/C6H16N4S/c1-5-9(2)10(3)6(8-7)11-4/h5,7H2,1-4H3/b8-6+
InChIKeyBOFHCPNFKDYUEE-SOFGYWHQSA-N
XLogP0.38
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.29
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-1-butan-2-yl-1-methylguanidine
CID 77053924
methyl N-(dimethylamino)-N,N'-dimethylcarbamimidothioate
CID 20684887
2-amino-1-ethyl-1-(2-methylbutyl)guanidine
CID 79470408
methyl N'-[12-[[dimethylamino(methylsulfanyl)methylidene]amino]dodecyl]-N,N-dimethylcarbamimidothioate
CID 24741834
2-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethylguanidine
CID 103189435
1-ethyl-1,2-dimethylguanidine
CID 21191499
2-hydroxy-1-methyl-1-(1-methylsulfanylbutan-2-yl)guanidine
CID 103955307
4-[carbamohydrazonoyl(methyl)amino]butanoic acid
CID 57260967
methyl N-carbamoyl-N-ethyl-N'-(ethylcarbamoyl)carbamimidothioate
CID 172711200
1-ethyl-1,2-dimethylguanidine;methane
CID 158668223
hydron;methyl N'-aminocarbamimidothioate;iodide
CID 90229300
N-[(Z)-aminodiazenyl]-N-methylethanamine
CID 130177557

Frequently Asked Questions

What is the IUPAC name of methyl N'-amino-N-[ethyl(methyl)amino]-N-methylcarbamimidothioate?
The IUPAC name of methyl N'-amino-N-[ethyl(methyl)amino]-N-methylcarbamimidothioate (CID 172971760) is methyl N'-amino-N-[ethyl(methyl)amino]-N-methylcarbamimidothioate.
What is the SMILES notation for methyl N'-amino-N-[ethyl(methyl)amino]-N-methylcarbamimidothioate?
The canonical SMILES for methyl N'-amino-N-[ethyl(methyl)amino]-N-methylcarbamimidothioate is CCN(C)N(C)/C(=N\N)SC.
What is the InChIKey of methyl N'-amino-N-[ethyl(methyl)amino]-N-methylcarbamimidothioate?
The InChIKey is BOFHCPNFKDYUEE-SOFGYWHQSA-N. The full InChI is InChI=1S/C6H16N4S/c1-5-9(2)10(3)6(8-7)11-4/h5,7H2,1-4H3/b8-6+.
What are the key properties of methyl N'-amino-N-[ethyl(methyl)amino]-N-methylcarbamimidothioate?
methyl N'-amino-N-[ethyl(methyl)amino]-N-methylcarbamimidothioate has a molecular weight of 176.29 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N'-amino-N-[ethyl(methyl)amino]-N-methylcarbamimidothioate is sourced from PubChem (CID 172971760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).