2-[amino(dihydroxy)-λ4-sulfanyl]-N,N-dimethylethanamine

C4H14N2O2S — CID 142529539

IUPAC2-[amino(dihydroxy)-λ4-sulfanyl]-N,N-dimethylethanamine
SMILESCN(C)CCS(N)(O)O
InChIInChI=1S/C4H14N2O2S/c1-6(2)3-4-9(5,7)8/h7-8H,3-5H2,1-2H3
InChIKeyJANZRBNAGRKZBO-UHFFFAOYSA-N
MW154.24 g/mol
LogP0.17
Rot. Bonds3

About 2-[amino(dihydroxy)-λ4-sulfanyl]-N,N-dimethylethanamine

2-[amino(dihydroxy)-λ4-sulfanyl]-N,N-dimethylethanamine (PubChem CID 142529539) has the molecular formula C4H14N2O2S and a molecular weight of 154.24 g/mol. Its IUPAC name is 2-[amino(dihydroxy)-λ4-sulfanyl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[amino(dihydroxy)-λ4-sulfanyl]-N,N-dimethylethanamine
PubChem CID142529539
Molecular FormulaC4H14N2O2S
Molecular Weight154.24 g/mol
Exact Mass154.08
IUPAC Name2-[amino(dihydroxy)-λ4-sulfanyl]-N,N-dimethylethanamine
SMILESCN(C)CCS(N)(O)O
InChIInChI=1S/C4H14N2O2S/c1-6(2)3-4-9(5,7)8/h7-8H,3-5H2,1-2H3
InChIKeyJANZRBNAGRKZBO-UHFFFAOYSA-N
XLogP0.17
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[amino(dihydroxy)-λ4-sulfanyl]-N,N-dimethylethanamine?
The IUPAC name of 2-[amino(dihydroxy)-λ4-sulfanyl]-N,N-dimethylethanamine (CID 142529539) is 2-[amino(dihydroxy)-λ4-sulfanyl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[amino(dihydroxy)-λ4-sulfanyl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[amino(dihydroxy)-λ4-sulfanyl]-N,N-dimethylethanamine is CN(C)CCS(N)(O)O.
What is the InChIKey of 2-[amino(dihydroxy)-λ4-sulfanyl]-N,N-dimethylethanamine?
The InChIKey is JANZRBNAGRKZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H14N2O2S/c1-6(2)3-4-9(5,7)8/h7-8H,3-5H2,1-2H3.
What are the key properties of 2-[amino(dihydroxy)-λ4-sulfanyl]-N,N-dimethylethanamine?
2-[amino(dihydroxy)-λ4-sulfanyl]-N,N-dimethylethanamine has a molecular weight of 154.24 g/mol, XLogP of 0.17, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(dihydroxy)-λ4-sulfanyl]-N,N-dimethylethanamine is sourced from PubChem (CID 142529539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).