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

C10H19NS — CID 126995539

IUPAC3-methyl-4-(3-methylbut-2-enyl)thiomorpholine
SMILESCC(C)=CCN1CCSCC1C
InChIInChI=1S/C10H19NS/c1-9(2)4-5-11-6-7-12-8-10(11)3/h4,10H,5-8H2,1-3H3
InChIKeyIOLPYMVYCWWDMI-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.39
Rot. Bonds2

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

3-methyl-4-(3-methylbut-2-enyl)thiomorpholine (PubChem CID 126995539) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 3-methyl-4-(3-methylbut-2-enyl)thiomorpholine.

Molecular Properties

Compound Name3-methyl-4-(3-methylbut-2-enyl)thiomorpholine
PubChem CID126995539
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name3-methyl-4-(3-methylbut-2-enyl)thiomorpholine
SMILESCC(C)=CCN1CCSCC1C
InChIInChI=1S/C10H19NS/c1-9(2)4-5-11-6-7-12-8-10(11)3/h4,10H,5-8H2,1-3H3
InChIKeyIOLPYMVYCWWDMI-UHFFFAOYSA-N
XLogP2.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(3-methylbut-2-enyl)thiomorpholine?
The IUPAC name of 3-methyl-4-(3-methylbut-2-enyl)thiomorpholine (CID 126995539) is 3-methyl-4-(3-methylbut-2-enyl)thiomorpholine.
What is the SMILES notation for 3-methyl-4-(3-methylbut-2-enyl)thiomorpholine?
The canonical SMILES for 3-methyl-4-(3-methylbut-2-enyl)thiomorpholine is CC(C)=CCN1CCSCC1C.
What is the InChIKey of 3-methyl-4-(3-methylbut-2-enyl)thiomorpholine?
The InChIKey is IOLPYMVYCWWDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-9(2)4-5-11-6-7-12-8-10(11)3/h4,10H,5-8H2,1-3H3.
What are the key properties of 3-methyl-4-(3-methylbut-2-enyl)thiomorpholine?
3-methyl-4-(3-methylbut-2-enyl)thiomorpholine has a molecular weight of 185.34 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(3-methylbut-2-enyl)thiomorpholine is sourced from PubChem (CID 126995539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).