1-morpholin-2-ylethanethiol

C6H13NOS — CID 22035336

IUPAC1-morpholin-2-ylethanethiol
SMILESCC(S)C1CNCCO1
InChIInChI=1S/C6H13NOS/c1-5(9)6-4-7-2-3-8-6/h5-7,9H,2-4H2,1H3
InChIKeyHGKNCNUJWAMTLM-UHFFFAOYSA-N
MW147.24 g/mol
LogP0.29
Rot. Bonds1

About 1-morpholin-2-ylethanethiol

1-morpholin-2-ylethanethiol (PubChem CID 22035336) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is 1-morpholin-2-ylethanethiol.

Molecular Properties

Compound Name1-morpholin-2-ylethanethiol
PubChem CID22035336
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Name1-morpholin-2-ylethanethiol
SMILESCC(S)C1CNCCO1
InChIInChI=1S/C6H13NOS/c1-5(9)6-4-7-2-3-8-6/h5-7,9H,2-4H2,1H3
InChIKeyHGKNCNUJWAMTLM-UHFFFAOYSA-N
XLogP0.29
TPSA21.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-morpholin-2-ylethanethiol 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-morpholin-2-ylethanethiol?
The IUPAC name of 1-morpholin-2-ylethanethiol (CID 22035336) is 1-morpholin-2-ylethanethiol.
What is the SMILES notation for 1-morpholin-2-ylethanethiol?
The canonical SMILES for 1-morpholin-2-ylethanethiol is CC(S)C1CNCCO1.
What is the InChIKey of 1-morpholin-2-ylethanethiol?
The InChIKey is HGKNCNUJWAMTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c1-5(9)6-4-7-2-3-8-6/h5-7,9H,2-4H2,1H3.
What are the key properties of 1-morpholin-2-ylethanethiol?
1-morpholin-2-ylethanethiol has a molecular weight of 147.24 g/mol, XLogP of 0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-2-ylethanethiol is sourced from PubChem (CID 22035336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).