1-(2-aminoethylsulfinyl)-N'-ethylmethanimidamide

C5H13N3OS — CID 142935981

IUPAC1-(2-aminoethylsulfinyl)-N'-ethylmethanimidamide
SMILESCC/N=C(\N)S(=O)CCN
InChIInChI=1S/C5H13N3OS/c1-2-8-5(7)10(9)4-3-6/h2-4,6H2,1H3,(H2,7,8)
InChIKeyZDZPIWSLFKOOTR-UHFFFAOYSA-N
MW163.25 g/mol
LogP-0.97
Rot. Bonds3

About 1-(2-aminoethylsulfinyl)-N'-ethylmethanimidamide

1-(2-aminoethylsulfinyl)-N'-ethylmethanimidamide (PubChem CID 142935981) has the molecular formula C5H13N3OS and a molecular weight of 163.25 g/mol. Its IUPAC name is 1-(2-aminoethylsulfinyl)-N'-ethylmethanimidamide.

Molecular Properties

Compound Name1-(2-aminoethylsulfinyl)-N'-ethylmethanimidamide
PubChem CID142935981
Molecular FormulaC5H13N3OS
Molecular Weight163.25 g/mol
Exact Mass163.08
IUPAC Name1-(2-aminoethylsulfinyl)-N'-ethylmethanimidamide
SMILESCC/N=C(\N)S(=O)CCN
InChIInChI=1S/C5H13N3OS/c1-2-8-5(7)10(9)4-3-6/h2-4,6H2,1H3,(H2,7,8)
InChIKeyZDZPIWSLFKOOTR-UHFFFAOYSA-N
XLogP-0.97
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.25
LogP ≤ 5-0.97
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

2-chloro-N'-ethylethanimidamide;hydrochloride
CID 14317600
CID 126574598
CID 126574598
2-ethylguanidine;nitrous acid
CID 174966669
2-amino-2-ethyliminoacetic acid
CID 12538241
2-(2-aminoethylsulfinyl)-N-propylpropanamide
CID 81175883
2-(2-aminoethylsulfinyl)-N,N-diethylacetamide
CID 81174658
2-amino-N-methylethanesulfinamide
CID 131974263
N'-(2-ethylsulfinylethyl)ethane-1,2-diamine
CID 130589076
N-(2-aminoethyl)propane-1-sulfinamide
CID 131182462
2-(ethoxymethylsulfinyl)ethanamine
CID 81175011
N-(N'-ethylcarbamimidoyl)formamide
CID 71416538
2-(N'-hydroxycarbamimidoyl)-N-(2-methylsulfinylethyl)-2-propylpentanamide
CID 104864779

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethylsulfinyl)-N'-ethylmethanimidamide?
The IUPAC name of 1-(2-aminoethylsulfinyl)-N'-ethylmethanimidamide (CID 142935981) is 1-(2-aminoethylsulfinyl)-N'-ethylmethanimidamide.
What is the SMILES notation for 1-(2-aminoethylsulfinyl)-N'-ethylmethanimidamide?
The canonical SMILES for 1-(2-aminoethylsulfinyl)-N'-ethylmethanimidamide is CC/N=C(\N)S(=O)CCN.
What is the InChIKey of 1-(2-aminoethylsulfinyl)-N'-ethylmethanimidamide?
The InChIKey is ZDZPIWSLFKOOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3OS/c1-2-8-5(7)10(9)4-3-6/h2-4,6H2,1H3,(H2,7,8).
What are the key properties of 1-(2-aminoethylsulfinyl)-N'-ethylmethanimidamide?
1-(2-aminoethylsulfinyl)-N'-ethylmethanimidamide has a molecular weight of 163.25 g/mol, XLogP of -0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethylsulfinyl)-N'-ethylmethanimidamide is sourced from PubChem (CID 142935981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).