4-(3-methylsulfanylprop-2-ynyl)morpholine

C8H13NOS — CID 153360046

IUPAC4-(3-methylsulfanylprop-2-ynyl)morpholine
SMILESCSC#CCN1CCOCC1
InChIInChI=1S/C8H13NOS/c1-11-8-2-3-9-4-6-10-7-5-9/h3-7H2,1H3
InChIKeyHQHMCULBOXABBA-UHFFFAOYSA-N
MW171.26 g/mol
LogP0.64
Rot. Bonds1

About 4-(3-methylsulfanylprop-2-ynyl)morpholine

4-(3-methylsulfanylprop-2-ynyl)morpholine (PubChem CID 153360046) has the molecular formula C8H13NOS and a molecular weight of 171.26 g/mol. Its IUPAC name is 4-(3-methylsulfanylprop-2-ynyl)morpholine.

Molecular Properties

Compound Name4-(3-methylsulfanylprop-2-ynyl)morpholine
PubChem CID153360046
Molecular FormulaC8H13NOS
Molecular Weight171.26 g/mol
Exact Mass171.07
IUPAC Name4-(3-methylsulfanylprop-2-ynyl)morpholine
SMILESCSC#CCN1CCOCC1
InChIInChI=1S/C8H13NOS/c1-11-8-2-3-9-4-6-10-7-5-9/h3-7H2,1H3
InChIKeyHQHMCULBOXABBA-UHFFFAOYSA-N
XLogP0.64
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(3-methylsulfanylprop-2-ynyl)morpholine with MolForge

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

Launch Full Analysis

Related Compounds

CID 58998022
CID 58998022
(2R)-6-morpholin-4-ylhex-4-yn-2-ol
CID 7272443
4-(2-methylsulfanylethynyl)morpholine
CID 134875965
ethane;4-prop-2-ynylmorpholine
CID 144709407
N,N-dimethyl-6-morpholin-4-ylhexa-2,4-diyn-1-amine
CID 91621873
2-methyl-6-morpholin-4-ylhex-4-yn-3-ol
CID 15356979
16-propyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71337150
13-(5-phenylpenta-2,4-diynyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102019988
2,3-dimethyl-6-morpholin-4-ylhex-1-en-4-yn-3-ol
CID 2840553
ethane;4-propylmorpholine
CID 143004992
4-propylmorpholine;hydrobromide
CID 70540609
N,2-dimethylpropan-1-amine;ethane;3-morpholin-4-ylprop-1-yn-1-amine
CID 170584460

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylsulfanylprop-2-ynyl)morpholine?
The IUPAC name of 4-(3-methylsulfanylprop-2-ynyl)morpholine (CID 153360046) is 4-(3-methylsulfanylprop-2-ynyl)morpholine.
What is the SMILES notation for 4-(3-methylsulfanylprop-2-ynyl)morpholine?
The canonical SMILES for 4-(3-methylsulfanylprop-2-ynyl)morpholine is CSC#CCN1CCOCC1.
What is the InChIKey of 4-(3-methylsulfanylprop-2-ynyl)morpholine?
The InChIKey is HQHMCULBOXABBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS/c1-11-8-2-3-9-4-6-10-7-5-9/h3-7H2,1H3.
What are the key properties of 4-(3-methylsulfanylprop-2-ynyl)morpholine?
4-(3-methylsulfanylprop-2-ynyl)morpholine has a molecular weight of 171.26 g/mol, XLogP of 0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylsulfanylprop-2-ynyl)morpholine is sourced from PubChem (CID 153360046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).