2-[(ethyl-methyl-oxo-λ6-sulfanylidene)amino]ethanamine

C5H14N2OS — CID 131002982

IUPAC2-[(ethyl-methyl-oxo-λ6-sulfanylidene)amino]ethanamine
SMILESCCS(C)(=O)=NCCN
InChIInChI=1S/C5H14N2OS/c1-3-9(2,8)7-5-4-6/h3-6H2,1-2H3
InChIKeyQFPMLBACGWDYHS-UHFFFAOYSA-N
MW150.25 g/mol
LogP0.06
Rot. Bonds3

About 2-[(ethyl-methyl-oxo-λ6-sulfanylidene)amino]ethanamine

2-[(ethyl-methyl-oxo-λ6-sulfanylidene)amino]ethanamine (PubChem CID 131002982) has the molecular formula C5H14N2OS and a molecular weight of 150.25 g/mol. Its IUPAC name is 2-[(ethyl-methyl-oxo-λ6-sulfanylidene)amino]ethanamine.

Molecular Properties

Compound Name2-[(ethyl-methyl-oxo-λ6-sulfanylidene)amino]ethanamine
PubChem CID131002982
Molecular FormulaC5H14N2OS
Molecular Weight150.25 g/mol
Exact Mass150.08
IUPAC Name2-[(ethyl-methyl-oxo-λ6-sulfanylidene)amino]ethanamine
SMILESCCS(C)(=O)=NCCN
InChIInChI=1S/C5H14N2OS/c1-3-9(2,8)7-5-4-6/h3-6H2,1-2H3
InChIKeyQFPMLBACGWDYHS-UHFFFAOYSA-N
XLogP0.06
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.25
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(ethyl-methyl-oxo-λ6-sulfanylidene)amino]ethanamine?
The IUPAC name of 2-[(ethyl-methyl-oxo-λ6-sulfanylidene)amino]ethanamine (CID 131002982) is 2-[(ethyl-methyl-oxo-λ6-sulfanylidene)amino]ethanamine.
What is the SMILES notation for 2-[(ethyl-methyl-oxo-λ6-sulfanylidene)amino]ethanamine?
The canonical SMILES for 2-[(ethyl-methyl-oxo-λ6-sulfanylidene)amino]ethanamine is CCS(C)(=O)=NCCN.
What is the InChIKey of 2-[(ethyl-methyl-oxo-λ6-sulfanylidene)amino]ethanamine?
The InChIKey is QFPMLBACGWDYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2OS/c1-3-9(2,8)7-5-4-6/h3-6H2,1-2H3.
What are the key properties of 2-[(ethyl-methyl-oxo-λ6-sulfanylidene)amino]ethanamine?
2-[(ethyl-methyl-oxo-λ6-sulfanylidene)amino]ethanamine has a molecular weight of 150.25 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(ethyl-methyl-oxo-λ6-sulfanylidene)amino]ethanamine is sourced from PubChem (CID 131002982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).