3-aminopropyl(dihydroxy)sulfanium

C3H10NO2S+ — CID 172716483

IUPAC3-aminopropyl(dihydroxy)sulfanium
SMILESNCCC[S+](O)O
InChIInChI=1S/C3H10NO2S/c4-2-1-3-7(5)6/h5-6H,1-4H2/q+1
InChIKeyFXVOMXULRFQQCN-UHFFFAOYSA-N
MW124.19 g/mol
LogP-0.10
Rot. Bonds3

About 3-aminopropyl(dihydroxy)sulfanium

3-aminopropyl(dihydroxy)sulfanium (PubChem CID 172716483) has the molecular formula C3H10NO2S+ and a molecular weight of 124.19 g/mol. Its IUPAC name is 3-aminopropyl(dihydroxy)sulfanium.

Molecular Properties

Compound Name3-aminopropyl(dihydroxy)sulfanium
PubChem CID172716483
Molecular FormulaC3H10NO2S+
Molecular Weight124.19 g/mol
Exact Mass124.04
IUPAC Name3-aminopropyl(dihydroxy)sulfanium
SMILESNCCC[S+](O)O
InChIInChI=1S/C3H10NO2S/c4-2-1-3-7(5)6/h5-6H,1-4H2/q+1
InChIKeyFXVOMXULRFQQCN-UHFFFAOYSA-N
XLogP-0.10
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 3-aminopropyl(dihydroxy)sulfanium?
The IUPAC name of 3-aminopropyl(dihydroxy)sulfanium (CID 172716483) is 3-aminopropyl(dihydroxy)sulfanium.
What is the SMILES notation for 3-aminopropyl(dihydroxy)sulfanium?
The canonical SMILES for 3-aminopropyl(dihydroxy)sulfanium is NCCC[S+](O)O.
What is the InChIKey of 3-aminopropyl(dihydroxy)sulfanium?
The InChIKey is FXVOMXULRFQQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10NO2S/c4-2-1-3-7(5)6/h5-6H,1-4H2/q+1.
What are the key properties of 3-aminopropyl(dihydroxy)sulfanium?
3-aminopropyl(dihydroxy)sulfanium has a molecular weight of 124.19 g/mol, XLogP of -0.10, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropyl(dihydroxy)sulfanium is sourced from PubChem (CID 172716483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).