N'-methyl-N-[1-[1-(prop-1-en-2-ylamino)ethenylsulfanyl]ethenyl]ethanimidamide

C10H17N3S — CID 146504934

IUPACN'-methyl-N-[1-[1-(prop-1-en-2-ylamino)ethenylsulfanyl]ethenyl]ethanimidamide
SMILESC=C(C)NC(=C)SC(=C)N/C(C)=N/C
InChIInChI=1S/C10H17N3S/c1-7(2)12-9(4)14-10(5)13-8(3)11-6/h12H,1,4-5H2,2-3,6H3,(H,11,13)
InChIKeyWDXHYXLMZOJOIC-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.42
Rot. Bonds5

About N'-methyl-N-[1-[1-(prop-1-en-2-ylamino)ethenylsulfanyl]ethenyl]ethanimidamide

N'-methyl-N-[1-[1-(prop-1-en-2-ylamino)ethenylsulfanyl]ethenyl]ethanimidamide (PubChem CID 146504934) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is N'-methyl-N-[1-[1-(prop-1-en-2-ylamino)ethenylsulfanyl]ethenyl]ethanimidamide.

Molecular Properties

Compound NameN'-methyl-N-[1-[1-(prop-1-en-2-ylamino)ethenylsulfanyl]ethenyl]ethanimidamide
PubChem CID146504934
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC NameN'-methyl-N-[1-[1-(prop-1-en-2-ylamino)ethenylsulfanyl]ethenyl]ethanimidamide
SMILESC=C(C)NC(=C)SC(=C)N/C(C)=N/C
InChIInChI=1S/C10H17N3S/c1-7(2)12-9(4)14-10(5)13-8(3)11-6/h12H,1,4-5H2,2-3,6H3,(H,11,13)
InChIKeyWDXHYXLMZOJOIC-UHFFFAOYSA-N
XLogP2.42
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-methyl-N-prop-1-en-2-ylpropanimidamide
CID 142586456
N-(1-fluoroethenyl)prop-1-en-2-amine
CID 145377112
ethane;N-(N-ethyl-C-methylcarbonimidoyl)-N'-methylethanimidamide
CID 143733110
N'-methyl-N-[(3Z)-nona-1,3,6,8-tetraen-2-yl]ethanimidamide
CID 143658325
N,N'-dimethylethanimidamide;ethane
CID 176553571
1-aminoethenyl N-methylethanimidothioate
CID 154517185
(Z)-N-prop-1-en-2-ylbut-2-en-2-amine
CID 142199904
methyl N'-ethyl-N-prop-1-en-2-ylcarbamimidothioate
CID 142019260
N-amino-N'-methylethanimidamide;molecular hydrogen
CID 142049253
3,3-dimethyl-N-prop-1-en-2-ylbut-1-en-2-amine
CID 126510317
ethane;N'-methyl-N-(3-methylbuta-1,3-dien-2-yl)carbamimidoyl chloride
CID 156800572
2-butan-2-yl-1-prop-1-en-2-ylguanidine
CID 145461023

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[1-[1-(prop-1-en-2-ylamino)ethenylsulfanyl]ethenyl]ethanimidamide?
The IUPAC name of N'-methyl-N-[1-[1-(prop-1-en-2-ylamino)ethenylsulfanyl]ethenyl]ethanimidamide (CID 146504934) is N'-methyl-N-[1-[1-(prop-1-en-2-ylamino)ethenylsulfanyl]ethenyl]ethanimidamide.
What is the SMILES notation for N'-methyl-N-[1-[1-(prop-1-en-2-ylamino)ethenylsulfanyl]ethenyl]ethanimidamide?
The canonical SMILES for N'-methyl-N-[1-[1-(prop-1-en-2-ylamino)ethenylsulfanyl]ethenyl]ethanimidamide is C=C(C)NC(=C)SC(=C)N/C(C)=N/C.
What is the InChIKey of N'-methyl-N-[1-[1-(prop-1-en-2-ylamino)ethenylsulfanyl]ethenyl]ethanimidamide?
The InChIKey is WDXHYXLMZOJOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-7(2)12-9(4)14-10(5)13-8(3)11-6/h12H,1,4-5H2,2-3,6H3,(H,11,13).
What are the key properties of N'-methyl-N-[1-[1-(prop-1-en-2-ylamino)ethenylsulfanyl]ethenyl]ethanimidamide?
N'-methyl-N-[1-[1-(prop-1-en-2-ylamino)ethenylsulfanyl]ethenyl]ethanimidamide has a molecular weight of 211.33 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[1-[1-(prop-1-en-2-ylamino)ethenylsulfanyl]ethenyl]ethanimidamide is sourced from PubChem (CID 146504934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).