4-(2,3-dimethylbut-2-enyl)thiomorpholine

C10H19NS — CID 102415048

IUPAC4-(2,3-dimethylbut-2-enyl)thiomorpholine
SMILESCC(C)=C(C)CN1CCSCC1
InChIInChI=1S/C10H19NS/c1-9(2)10(3)8-11-4-6-12-7-5-11/h4-8H2,1-3H3
InChIKeyTZBOCNIDSQDFNH-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.39
Rot. Bonds2

About 4-(2,3-dimethylbut-2-enyl)thiomorpholine

4-(2,3-dimethylbut-2-enyl)thiomorpholine (PubChem CID 102415048) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 4-(2,3-dimethylbut-2-enyl)thiomorpholine.

Molecular Properties

Compound Name4-(2,3-dimethylbut-2-enyl)thiomorpholine
PubChem CID102415048
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name4-(2,3-dimethylbut-2-enyl)thiomorpholine
SMILESCC(C)=C(C)CN1CCSCC1
InChIInChI=1S/C10H19NS/c1-9(2)10(3)8-11-4-6-12-7-5-11/h4-8H2,1-3H3
InChIKeyTZBOCNIDSQDFNH-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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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-Ethyl-2,2,4-trimethylthiomorpholin-4-ium
CID 90904515
4-Ethyl-2,2-dimethylthiomorpholine
CID 127428444
1,3-Dimethyl-4-propan-2-ylsulfanyl-2,5-dihydropyrrole
CID 135164985
Ethane;2,2,4-trimethylthiomorpholine
CID 144581692
4-Propan-2-yl-2-propan-2-ylidenethiomorpholine
CID 169831099
4-(3-Methylbut-2-enyl)thiomorpholine
CID 102415045
2-[(2,6-Dimethylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol
CID 103073191
2-[(2-Methylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol
CID 103073551
2-[(2,2-Dimethylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol
CID 103073556

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylbut-2-enyl)thiomorpholine?
The IUPAC name of 4-(2,3-dimethylbut-2-enyl)thiomorpholine (CID 102415048) is 4-(2,3-dimethylbut-2-enyl)thiomorpholine.
What is the SMILES notation for 4-(2,3-dimethylbut-2-enyl)thiomorpholine?
The canonical SMILES for 4-(2,3-dimethylbut-2-enyl)thiomorpholine is CC(C)=C(C)CN1CCSCC1.
What is the InChIKey of 4-(2,3-dimethylbut-2-enyl)thiomorpholine?
The InChIKey is TZBOCNIDSQDFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-9(2)10(3)8-11-4-6-12-7-5-11/h4-8H2,1-3H3.
What are the key properties of 4-(2,3-dimethylbut-2-enyl)thiomorpholine?
4-(2,3-dimethylbut-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 4-(2,3-dimethylbut-2-enyl)thiomorpholine is sourced from PubChem (CID 102415048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).