1-aminopropan-1-ol;thiomorpholine

C7H18N2OS — CID 174842484

IUPAC1-aminopropan-1-ol;thiomorpholine
SMILESC1CSCCN1.CCC(N)O
InChIInChI=1S/C4H9NS.C3H9NO/c1-3-6-4-2-5-1;1-2-3(4)5/h5H,1-4H2;3,5H,2,4H2,1H3
InChIKeyJGMJTXBJSNEJLQ-UHFFFAOYSA-N
MW178.30 g/mol
LogP-0.00
Rot. Bonds1

About 1-aminopropan-1-ol;thiomorpholine

1-aminopropan-1-ol;thiomorpholine (PubChem CID 174842484) has the molecular formula C7H18N2OS and a molecular weight of 178.30 g/mol. Its IUPAC name is 1-aminopropan-1-ol;thiomorpholine.

Molecular Properties

Compound Name1-aminopropan-1-ol;thiomorpholine
PubChem CID174842484
Molecular FormulaC7H18N2OS
Molecular Weight178.30 g/mol
Exact Mass178.11
IUPAC Name1-aminopropan-1-ol;thiomorpholine
SMILESC1CSCCN1.CCC(N)O
InChIInChI=1S/C4H9NS.C3H9NO/c1-3-6-4-2-5-1;1-2-3(4)5/h5H,1-4H2;3,5H,2,4H2,1H3
InChIKeyJGMJTXBJSNEJLQ-UHFFFAOYSA-N
XLogP-0.00
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.30
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-aminopropan-1-ol;thiomorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-aminopropan-1-ol;thiomorpholine?
The IUPAC name of 1-aminopropan-1-ol;thiomorpholine (CID 174842484) is 1-aminopropan-1-ol;thiomorpholine.
What is the SMILES notation for 1-aminopropan-1-ol;thiomorpholine?
The canonical SMILES for 1-aminopropan-1-ol;thiomorpholine is C1CSCCN1.CCC(N)O.
What is the InChIKey of 1-aminopropan-1-ol;thiomorpholine?
The InChIKey is JGMJTXBJSNEJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NS.C3H9NO/c1-3-6-4-2-5-1;1-2-3(4)5/h5H,1-4H2;3,5H,2,4H2,1H3.
What are the key properties of 1-aminopropan-1-ol;thiomorpholine?
1-aminopropan-1-ol;thiomorpholine has a molecular weight of 178.30 g/mol, XLogP of -0.00, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopropan-1-ol;thiomorpholine is sourced from PubChem (CID 174842484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).