4-(1-imidazol-1-ylprop-2-enylsulfonyl)thiomorpholine

C10H15N3O2S2 — CID 174623872

IUPAC4-(1-imidazol-1-ylprop-2-enylsulfonyl)thiomorpholine
SMILESC=CC(n1ccnc1)S(=O)(=O)N1CCSCC1
InChIInChI=1S/C10H15N3O2S2/c1-2-10(12-4-3-11-9-12)17(14,15)13-5-7-16-8-6-13/h2-4,9-10H,1,5-8H2
InChIKeyRSDIKDCIIHIMMW-UHFFFAOYSA-N
MW273.38 g/mol
LogP0.95
Rot. Bonds4

About 4-(1-imidazol-1-ylprop-2-enylsulfonyl)thiomorpholine

4-(1-imidazol-1-ylprop-2-enylsulfonyl)thiomorpholine (PubChem CID 174623872) has the molecular formula C10H15N3O2S2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-(1-imidazol-1-ylprop-2-enylsulfonyl)thiomorpholine.

Molecular Properties

Compound Name4-(1-imidazol-1-ylprop-2-enylsulfonyl)thiomorpholine
PubChem CID174623872
Molecular FormulaC10H15N3O2S2
Molecular Weight273.38 g/mol
Exact Mass273.06
IUPAC Name4-(1-imidazol-1-ylprop-2-enylsulfonyl)thiomorpholine
SMILESC=CC(n1ccnc1)S(=O)(=O)N1CCSCC1
InChIInChI=1S/C10H15N3O2S2/c1-2-10(12-4-3-11-9-12)17(14,15)13-5-7-16-8-6-13/h2-4,9-10H,1,5-8H2
InChIKeyRSDIKDCIIHIMMW-UHFFFAOYSA-N
XLogP0.95
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 4-(1-imidazol-1-ylprop-2-enylsulfonyl)thiomorpholine?
The IUPAC name of 4-(1-imidazol-1-ylprop-2-enylsulfonyl)thiomorpholine (CID 174623872) is 4-(1-imidazol-1-ylprop-2-enylsulfonyl)thiomorpholine.
What is the SMILES notation for 4-(1-imidazol-1-ylprop-2-enylsulfonyl)thiomorpholine?
The canonical SMILES for 4-(1-imidazol-1-ylprop-2-enylsulfonyl)thiomorpholine is C=CC(n1ccnc1)S(=O)(=O)N1CCSCC1.
What is the InChIKey of 4-(1-imidazol-1-ylprop-2-enylsulfonyl)thiomorpholine?
The InChIKey is RSDIKDCIIHIMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S2/c1-2-10(12-4-3-11-9-12)17(14,15)13-5-7-16-8-6-13/h2-4,9-10H,1,5-8H2.
What are the key properties of 4-(1-imidazol-1-ylprop-2-enylsulfonyl)thiomorpholine?
4-(1-imidazol-1-ylprop-2-enylsulfonyl)thiomorpholine has a molecular weight of 273.38 g/mol, XLogP of 0.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-imidazol-1-ylprop-2-enylsulfonyl)thiomorpholine is sourced from PubChem (CID 174623872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).