3-methyl-4-prop-2-enylthiomorpholine

C8H15NS — CID 127341335

IUPAC3-methyl-4-prop-2-enylthiomorpholine
SMILESC=CCN1CCSCC1C
InChIInChI=1S/C8H15NS/c1-3-4-9-5-6-10-7-8(9)2/h3,8H,1,4-7H2,2H3
InChIKeyOMAARCVNMGBZEU-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.61
Rot. Bonds2

About 3-methyl-4-prop-2-enylthiomorpholine

3-methyl-4-prop-2-enylthiomorpholine (PubChem CID 127341335) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 3-methyl-4-prop-2-enylthiomorpholine.

Molecular Properties

Compound Name3-methyl-4-prop-2-enylthiomorpholine
PubChem CID127341335
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name3-methyl-4-prop-2-enylthiomorpholine
SMILESC=CCN1CCSCC1C
InChIInChI=1S/C8H15NS/c1-3-4-9-5-6-10-7-8(9)2/h3,8H,1,4-7H2,2H3
InChIKeyOMAARCVNMGBZEU-UHFFFAOYSA-N
XLogP1.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.61
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-prop-2-enylthiomorpholine?
The IUPAC name of 3-methyl-4-prop-2-enylthiomorpholine (CID 127341335) is 3-methyl-4-prop-2-enylthiomorpholine.
What is the SMILES notation for 3-methyl-4-prop-2-enylthiomorpholine?
The canonical SMILES for 3-methyl-4-prop-2-enylthiomorpholine is C=CCN1CCSCC1C.
What is the InChIKey of 3-methyl-4-prop-2-enylthiomorpholine?
The InChIKey is OMAARCVNMGBZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-3-4-9-5-6-10-7-8(9)2/h3,8H,1,4-7H2,2H3.
What are the key properties of 3-methyl-4-prop-2-enylthiomorpholine?
3-methyl-4-prop-2-enylthiomorpholine has a molecular weight of 157.28 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-prop-2-enylthiomorpholine is sourced from PubChem (CID 127341335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).