(amino-hydroxy-propyl-λ6-sulfanylidyne)oxidanium

C3H10NO2S+ — CID 146963287

IUPAC(amino-hydroxy-propyl-λ6-sulfanylidyne)oxidanium
SMILESCCCS(N)(#[O+])O
InChIInChI=1S/C3H10NO2S/c1-2-3-7(4,5)6/h5H,2-4H2,1H3/q+1
InChIKeyXDCSUKGQUAUIST-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.89
Rot. Bonds1

About (amino-hydroxy-propyl-λ6-sulfanylidyne)oxidanium

(amino-hydroxy-propyl-λ6-sulfanylidyne)oxidanium (PubChem CID 146963287) has the molecular formula C3H10NO2S+ and a molecular weight of 124.19 g/mol. Its IUPAC name is (amino-hydroxy-propyl-λ6-sulfanylidyne)oxidanium.

Molecular Properties

Compound Name(amino-hydroxy-propyl-λ6-sulfanylidyne)oxidanium
PubChem CID146963287
Molecular FormulaC3H10NO2S+
Molecular Weight124.19 g/mol
Exact Mass124.04
IUPAC Name(amino-hydroxy-propyl-λ6-sulfanylidyne)oxidanium
SMILESCCCS(N)(#[O+])O
InChIInChI=1S/C3H10NO2S/c1-2-3-7(4,5)6/h5H,2-4H2,1H3/q+1
InChIKeyXDCSUKGQUAUIST-UHFFFAOYSA-N
XLogP0.89
TPSA66.15 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (amino-hydroxy-propyl-λ6-sulfanylidyne)oxidanium?
The IUPAC name of (amino-hydroxy-propyl-λ6-sulfanylidyne)oxidanium (CID 146963287) is (amino-hydroxy-propyl-λ6-sulfanylidyne)oxidanium.
What is the SMILES notation for (amino-hydroxy-propyl-λ6-sulfanylidyne)oxidanium?
The canonical SMILES for (amino-hydroxy-propyl-λ6-sulfanylidyne)oxidanium is CCCS(N)(#[O+])O.
What is the InChIKey of (amino-hydroxy-propyl-λ6-sulfanylidyne)oxidanium?
The InChIKey is XDCSUKGQUAUIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10NO2S/c1-2-3-7(4,5)6/h5H,2-4H2,1H3/q+1.
What are the key properties of (amino-hydroxy-propyl-λ6-sulfanylidyne)oxidanium?
(amino-hydroxy-propyl-λ6-sulfanylidyne)oxidanium has a molecular weight of 124.19 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (amino-hydroxy-propyl-λ6-sulfanylidyne)oxidanium is sourced from PubChem (CID 146963287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).