4-(3-methylbut-3-enyl)thiomorpholine

C9H17NS — CID 130611988

IUPAC4-(3-methylbut-3-enyl)thiomorpholine
SMILESC=C(C)CCN1CCSCC1
InChIInChI=1S/C9H17NS/c1-9(2)3-4-10-5-7-11-8-6-10/h1,3-8H2,2H3
InChIKeyRSCKRESLXMIFIS-UHFFFAOYSA-N
MW171.31 g/mol
LogP2.00
Rot. Bonds3

About 4-(3-methylbut-3-enyl)thiomorpholine

4-(3-methylbut-3-enyl)thiomorpholine (PubChem CID 130611988) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 4-(3-methylbut-3-enyl)thiomorpholine.

Molecular Properties

Compound Name4-(3-methylbut-3-enyl)thiomorpholine
PubChem CID130611988
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name4-(3-methylbut-3-enyl)thiomorpholine
SMILESC=C(C)CCN1CCSCC1
InChIInChI=1S/C9H17NS/c1-9(2)3-4-10-5-7-11-8-6-10/h1,3-8H2,2H3
InChIKeyRSCKRESLXMIFIS-UHFFFAOYSA-N
XLogP2.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(3-methylbut-3-enyl)thiomorpholine 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

2,2-Dimethyl-4-(2-methylidenebutyl)thiomorpholine
CID 130612248
2,2-Dimethyl-4-(3-methylbut-2-en-1-yl)thiomorpholine
CID 130709446
2,2-Dimethyl-4-(3-methylbut-3-en-1-yl)thiomorpholine
CID 130735417
Methyl(3-methylbut-3-en-1-yl)[2-(methylsulfanyl)ethyl]amine
CID 145867182
4-(2-Methylprop-2-enyl)thiomorpholine
CID 52141724
3-(2,3-Dimethylbut-3-enyl)-4-methyl-1,3-thiazinane
CID 123516968
4-(2-Ethenylbut-2-enyl)thiomorpholine
CID 123822515
4-Methyl-2-prop-1-en-2-ylthiomorpholine
CID 155383433
2-Methyl-4-(4-piperidin-1-ylbut-1-en-2-ylsulfanyl)butane-2-thiol
CID 169645683
4-(3-Methylidenepent-4-enyl)thiomorpholine
CID 172126442
4-(3,4-Dimethylidenehex-5-enyl)thiomorpholine
CID 172126537
N,N-dimethyl-3-(3-methylbut-3-enylsulfanyl)propan-1-amine
CID 10442460

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbut-3-enyl)thiomorpholine?
The IUPAC name of 4-(3-methylbut-3-enyl)thiomorpholine (CID 130611988) is 4-(3-methylbut-3-enyl)thiomorpholine.
What is the SMILES notation for 4-(3-methylbut-3-enyl)thiomorpholine?
The canonical SMILES for 4-(3-methylbut-3-enyl)thiomorpholine is C=C(C)CCN1CCSCC1.
What is the InChIKey of 4-(3-methylbut-3-enyl)thiomorpholine?
The InChIKey is RSCKRESLXMIFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-9(2)3-4-10-5-7-11-8-6-10/h1,3-8H2,2H3.
What are the key properties of 4-(3-methylbut-3-enyl)thiomorpholine?
4-(3-methylbut-3-enyl)thiomorpholine has a molecular weight of 171.31 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbut-3-enyl)thiomorpholine is sourced from PubChem (CID 130611988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).