4-hex-1-ynylsulfanylmorpholine

C10H17NOS — CID 11521268

IUPAC4-hex-1-ynylsulfanylmorpholine
SMILESCCCCC#CSN1CCOCC1
InChIInChI=1S/C10H17NOS/c1-2-3-4-5-10-13-11-6-8-12-9-7-11/h2-4,6-9H2,1H3
InChIKeyLAFCHFXJSNEEHK-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.12
Rot. Bonds3

About 4-hex-1-ynylsulfanylmorpholine

4-hex-1-ynylsulfanylmorpholine (PubChem CID 11521268) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is 4-hex-1-ynylsulfanylmorpholine.

Molecular Properties

Compound Name4-hex-1-ynylsulfanylmorpholine
PubChem CID11521268
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name4-hex-1-ynylsulfanylmorpholine
SMILESCCCCC#CSN1CCOCC1
InChIInChI=1S/C10H17NOS/c1-2-3-4-5-10-13-11-6-8-12-9-7-11/h2-4,6-9H2,1H3
InChIKeyLAFCHFXJSNEEHK-UHFFFAOYSA-N
XLogP2.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-hex-1-ynylsulfanylmorpholine 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

4-pentylsulfanylmorpholine
CID 134928902
ethane;4-ethylsulfanylmorpholine
CID 177159811
4-(hexylsulfanylmethyl)morpholine
CID 141157858
butane;4-butylmorpholine
CID 177152600
(Hex-1-yn-1-yl)silane
CID 13112953
4-hexylmorpholine
CID 3614751
1,4-dioxane;tetradecane
CID 159034856
(2S)-2-non-4-ynyloxirane
CID 11228997
1-hex-1-ynylpiperidine
CID 134987420
butane;bis(4-methylmorpholine)
CID 159010392
ethane;4-methylsulfanylmorpholine
CID 143553073
4-(2-bromohexyl)morpholine
CID 19907055

Frequently Asked Questions

What is the IUPAC name of 4-hex-1-ynylsulfanylmorpholine?
The IUPAC name of 4-hex-1-ynylsulfanylmorpholine (CID 11521268) is 4-hex-1-ynylsulfanylmorpholine.
What is the SMILES notation for 4-hex-1-ynylsulfanylmorpholine?
The canonical SMILES for 4-hex-1-ynylsulfanylmorpholine is CCCCC#CSN1CCOCC1.
What is the InChIKey of 4-hex-1-ynylsulfanylmorpholine?
The InChIKey is LAFCHFXJSNEEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-2-3-4-5-10-13-11-6-8-12-9-7-11/h2-4,6-9H2,1H3.
What are the key properties of 4-hex-1-ynylsulfanylmorpholine?
4-hex-1-ynylsulfanylmorpholine has a molecular weight of 199.32 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hex-1-ynylsulfanylmorpholine is sourced from PubChem (CID 11521268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).