N-ethyl-3-hydroxysulfanylpropan-1-amine

C5H13NOS — CID 143236217

IUPACN-ethyl-3-hydroxysulfanylpropan-1-amine
SMILESCCNCCCSO
InChIInChI=1S/C5H13NOS/c1-2-6-4-3-5-8-7/h6-7H,2-5H2,1H3
InChIKeyOZJAVQJAXQAULI-UHFFFAOYSA-N
MW135.23 g/mol
LogP1.19
Rot. Bonds5

About N-ethyl-3-hydroxysulfanylpropan-1-amine

N-ethyl-3-hydroxysulfanylpropan-1-amine (PubChem CID 143236217) has the molecular formula C5H13NOS and a molecular weight of 135.23 g/mol. Its IUPAC name is N-ethyl-3-hydroxysulfanylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-hydroxysulfanylpropan-1-amine
PubChem CID143236217
Molecular FormulaC5H13NOS
Molecular Weight135.23 g/mol
Exact Mass135.07
IUPAC NameN-ethyl-3-hydroxysulfanylpropan-1-amine
SMILESCCNCCCSO
InChIInChI=1S/C5H13NOS/c1-2-6-4-3-5-8-7/h6-7H,2-5H2,1H3
InChIKeyOZJAVQJAXQAULI-UHFFFAOYSA-N
XLogP1.19
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.23
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-ethyl-3-hydroxysulfanylpropan-1-amine 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 N-ethyl-3-hydroxysulfanylpropan-1-amine?
The IUPAC name of N-ethyl-3-hydroxysulfanylpropan-1-amine (CID 143236217) is N-ethyl-3-hydroxysulfanylpropan-1-amine.
What is the SMILES notation for N-ethyl-3-hydroxysulfanylpropan-1-amine?
The canonical SMILES for N-ethyl-3-hydroxysulfanylpropan-1-amine is CCNCCCSO.
What is the InChIKey of N-ethyl-3-hydroxysulfanylpropan-1-amine?
The InChIKey is OZJAVQJAXQAULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NOS/c1-2-6-4-3-5-8-7/h6-7H,2-5H2,1H3.
What are the key properties of N-ethyl-3-hydroxysulfanylpropan-1-amine?
N-ethyl-3-hydroxysulfanylpropan-1-amine has a molecular weight of 135.23 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-hydroxysulfanylpropan-1-amine is sourced from PubChem (CID 143236217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).