3-(methylamino)propane-1-thiol;uranium;hydrate

C4H13NOSU — CID 143130048

IUPAC3-(methylamino)propane-1-thiol;uranium;hydrate
SMILESCNCCCS.O.[U]
InChIInChI=1S/C4H11NS.H2O.U/c1-5-3-2-4-6;;/h5-6H,2-4H2,1H3;1H2;
InChIKeyHQDDGUIXRAWCEL-UHFFFAOYSA-N
MW361.25 g/mol
LogP-0.30
Rot. Bonds3

About 3-(methylamino)propane-1-thiol;uranium;hydrate

3-(methylamino)propane-1-thiol;uranium;hydrate (PubChem CID 143130048) has the molecular formula C4H13NOSU and a molecular weight of 361.25 g/mol. Its IUPAC name is 3-(methylamino)propane-1-thiol;uranium;hydrate.

Molecular Properties

Compound Name3-(methylamino)propane-1-thiol;uranium;hydrate
PubChem CID143130048
Molecular FormulaC4H13NOSU
Molecular Weight361.25 g/mol
Exact Mass361.12
IUPAC Name3-(methylamino)propane-1-thiol;uranium;hydrate
SMILESCNCCCS.O.[U]
InChIInChI=1S/C4H11NS.H2O.U/c1-5-3-2-4-6;;/h5-6H,2-4H2,1H3;1H2;
InChIKeyHQDDGUIXRAWCEL-UHFFFAOYSA-N
XLogP-0.30
TPSA43.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.25
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)propane-1-thiol;uranium;hydrate?
The IUPAC name of 3-(methylamino)propane-1-thiol;uranium;hydrate (CID 143130048) is 3-(methylamino)propane-1-thiol;uranium;hydrate.
What is the SMILES notation for 3-(methylamino)propane-1-thiol;uranium;hydrate?
The canonical SMILES for 3-(methylamino)propane-1-thiol;uranium;hydrate is CNCCCS.O.[U].
What is the InChIKey of 3-(methylamino)propane-1-thiol;uranium;hydrate?
The InChIKey is HQDDGUIXRAWCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NS.H2O.U/c1-5-3-2-4-6;;/h5-6H,2-4H2,1H3;1H2;.
What are the key properties of 3-(methylamino)propane-1-thiol;uranium;hydrate?
3-(methylamino)propane-1-thiol;uranium;hydrate has a molecular weight of 361.25 g/mol, XLogP of -0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)propane-1-thiol;uranium;hydrate is sourced from PubChem (CID 143130048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).