[ethylamino(dihydroxy)-λ4-sulfanyl]azanium

C2H11N2O2S+ — CID 163999686

IUPAC[ethylamino(dihydroxy)-λ4-sulfanyl]azanium
SMILESCCNS([NH3+])(O)O
InChIInChI=1S/C2H10N2O2S/c1-2-4-7(3,5)6/h4-6H,2-3H2,1H3/p+1
InChIKeyUHWBQUPXAZKLTB-UHFFFAOYSA-O
MW127.19 g/mol
LogP-0.58
Rot. Bonds2

About [ethylamino(dihydroxy)-λ4-sulfanyl]azanium

[ethylamino(dihydroxy)-λ4-sulfanyl]azanium (PubChem CID 163999686) has the molecular formula C2H11N2O2S+ and a molecular weight of 127.19 g/mol. Its IUPAC name is [ethylamino(dihydroxy)-λ4-sulfanyl]azanium.

Molecular Properties

Compound Name[ethylamino(dihydroxy)-λ4-sulfanyl]azanium
PubChem CID163999686
Molecular FormulaC2H11N2O2S+
Molecular Weight127.19 g/mol
Exact Mass127.05
IUPAC Name[ethylamino(dihydroxy)-λ4-sulfanyl]azanium
SMILESCCNS([NH3+])(O)O
InChIInChI=1S/C2H10N2O2S/c1-2-4-7(3,5)6/h4-6H,2-3H2,1H3/p+1
InChIKeyUHWBQUPXAZKLTB-UHFFFAOYSA-O
XLogP-0.58
TPSA80.13 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 5-0.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [ethylamino(dihydroxy)-λ4-sulfanyl]azanium?
The IUPAC name of [ethylamino(dihydroxy)-λ4-sulfanyl]azanium (CID 163999686) is [ethylamino(dihydroxy)-λ4-sulfanyl]azanium.
What is the SMILES notation for [ethylamino(dihydroxy)-λ4-sulfanyl]azanium?
The canonical SMILES for [ethylamino(dihydroxy)-λ4-sulfanyl]azanium is CCNS([NH3+])(O)O.
What is the InChIKey of [ethylamino(dihydroxy)-λ4-sulfanyl]azanium?
The InChIKey is UHWBQUPXAZKLTB-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H10N2O2S/c1-2-4-7(3,5)6/h4-6H,2-3H2,1H3/p+1.
What are the key properties of [ethylamino(dihydroxy)-λ4-sulfanyl]azanium?
[ethylamino(dihydroxy)-λ4-sulfanyl]azanium has a molecular weight of 127.19 g/mol, XLogP of -0.58, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [ethylamino(dihydroxy)-λ4-sulfanyl]azanium is sourced from PubChem (CID 163999686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).