4-(3-methylbut-2-enyl)thiomorpholine

C9H17NS — CID 102415045

IUPAC4-(3-methylbut-2-enyl)thiomorpholine
SMILESCC(C)=CCN1CCSCC1
InChIInChI=1S/C9H17NS/c1-9(2)3-4-10-5-7-11-8-6-10/h3H,4-8H2,1-2H3
InChIKeyGUSAEVIFPNGPMG-UHFFFAOYSA-N
MW171.31 g/mol
LogP2.00
Rot. Bonds2

About 4-(3-methylbut-2-enyl)thiomorpholine

4-(3-methylbut-2-enyl)thiomorpholine (PubChem CID 102415045) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 4-(3-methylbut-2-enyl)thiomorpholine.

Molecular Properties

Compound Name4-(3-methylbut-2-enyl)thiomorpholine
PubChem CID102415045
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name4-(3-methylbut-2-enyl)thiomorpholine
SMILESCC(C)=CCN1CCSCC1
InChIInChI=1S/C9H17NS/c1-9(2)3-4-10-5-7-11-8-6-10/h3H,4-8H2,1-2H3
InChIKeyGUSAEVIFPNGPMG-UHFFFAOYSA-N
XLogP2.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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-2-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
4-(2-Methylprop-2-enyl)thiomorpholine
CID 52141724
4-Buta-2,3-dienylthiomorpholine
CID 57277223
4-Tert-butyl-2-methylidenethiomorpholine
CID 70670572
4-(2-Ethenylbut-2-enyl)thiomorpholine
CID 123822515
4-Methylthiomorpholine;prop-1-ene
CID 143140970
4-Propan-2-yl-2-propan-2-ylidenethiomorpholine
CID 169831099
4-[(2E)-4-methylpenta-2,4-dienyl]thiomorpholine
CID 177231949
4-[(E)-but-2-enyl]thiomorpholine
CID 12517936
4-(2-Methylprop-1-enyl)thiomorpholine
CID 24799032
4-(2,6-Dimethylthiomorpholin-4-yl)but-2-ene-1-thiol
CID 80017547

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbut-2-enyl)thiomorpholine?
The IUPAC name of 4-(3-methylbut-2-enyl)thiomorpholine (CID 102415045) is 4-(3-methylbut-2-enyl)thiomorpholine.
What is the SMILES notation for 4-(3-methylbut-2-enyl)thiomorpholine?
The canonical SMILES for 4-(3-methylbut-2-enyl)thiomorpholine is CC(C)=CCN1CCSCC1.
What is the InChIKey of 4-(3-methylbut-2-enyl)thiomorpholine?
The InChIKey is GUSAEVIFPNGPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-9(2)3-4-10-5-7-11-8-6-10/h3H,4-8H2,1-2H3.
What are the key properties of 4-(3-methylbut-2-enyl)thiomorpholine?
4-(3-methylbut-2-enyl)thiomorpholine has a molecular weight of 171.31 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbut-2-enyl)thiomorpholine is sourced from PubChem (CID 102415045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).