[2-(ethylamino)ethyl-methylamino] thiohypofluorite

C5H13FN2S — CID 126685184

IUPAC[2-(ethylamino)ethyl-methylamino] thiohypofluorite
SMILESCCNCCN(C)SF
InChIInChI=1S/C5H13FN2S/c1-3-7-4-5-8(2)9-6/h7H,3-5H2,1-2H3
InChIKeyWEXQZFDHSPACRC-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.06
Rot. Bonds5

About [2-(ethylamino)ethyl-methylamino] thiohypofluorite

[2-(ethylamino)ethyl-methylamino] thiohypofluorite (PubChem CID 126685184) has the molecular formula C5H13FN2S and a molecular weight of 152.24 g/mol. Its IUPAC name is [2-(ethylamino)ethyl-methylamino] thiohypofluorite.

Molecular Properties

Compound Name[2-(ethylamino)ethyl-methylamino] thiohypofluorite
PubChem CID126685184
Molecular FormulaC5H13FN2S
Molecular Weight152.24 g/mol
Exact Mass152.08
IUPAC Name[2-(ethylamino)ethyl-methylamino] thiohypofluorite
SMILESCCNCCN(C)SF
InChIInChI=1S/C5H13FN2S/c1-3-7-4-5-8(2)9-6/h7H,3-5H2,1-2H3
InChIKeyWEXQZFDHSPACRC-UHFFFAOYSA-N
XLogP1.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-Ethylethylenediamine
CID 66071
2,5-Diazaheptane
CID 67104
N-(2-aminoethyl)-N'-methylethylenediamine
CID 118593
2-Azaniumylethyl(ethyl)azanium
CID 6999060
N'-(2-fluoroethyl)-N-methylethane-1,2-diamine
CID 87509271
N-ethyl-N'-(2-fluoroethyl)ethane-1,2-diamine
CID 126976232
N'-(2-aminoethyl)-N'-(trifluoro-lambda4-sulfanyl)ethane-1,2-diamine
CID 140202052
N'-ethyl-N'-fluoro-N-methylethane-1,2-diamine
CID 143371162
2-Aminoethyl(ethyl)azanium
CID 20609211
2-(Ethylamino)ethylazanium
CID 164181314
N'-ethylethane-1,2-diamine;hydron
CID 174552043
CID 59270462
CID 59270462

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)ethyl-methylamino] thiohypofluorite?
The IUPAC name of [2-(ethylamino)ethyl-methylamino] thiohypofluorite (CID 126685184) is [2-(ethylamino)ethyl-methylamino] thiohypofluorite.
What is the SMILES notation for [2-(ethylamino)ethyl-methylamino] thiohypofluorite?
The canonical SMILES for [2-(ethylamino)ethyl-methylamino] thiohypofluorite is CCNCCN(C)SF.
What is the InChIKey of [2-(ethylamino)ethyl-methylamino] thiohypofluorite?
The InChIKey is WEXQZFDHSPACRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13FN2S/c1-3-7-4-5-8(2)9-6/h7H,3-5H2,1-2H3.
What are the key properties of [2-(ethylamino)ethyl-methylamino] thiohypofluorite?
[2-(ethylamino)ethyl-methylamino] thiohypofluorite has a molecular weight of 152.24 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)ethyl-methylamino] thiohypofluorite is sourced from PubChem (CID 126685184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).