1-(2-morpholin-4-ylethyl)-2-propylimidazole-4-sulfonyl chloride

C12H20ClN3O3S — CID 82913869

IUPAC1-(2-morpholin-4-ylethyl)-2-propylimidazole-4-sulfonyl chloride
SMILESCCCc1nc(S(=O)(=O)Cl)cn1CCN1CCOCC1
InChIInChI=1S/C12H20ClN3O3S/c1-2-3-11-14-12(20(13,17)18)10-16(11)5-4-15-6-8-19-9-7-15/h10H,2-9H2,1H3
InChIKeyBSRJVCIOFOPQII-UHFFFAOYSA-N
MW321.83 g/mol
LogP1.10
Rot. Bonds6

About 1-(2-morpholin-4-ylethyl)-2-propylimidazole-4-sulfonyl chloride

1-(2-morpholin-4-ylethyl)-2-propylimidazole-4-sulfonyl chloride (PubChem CID 82913869) has the molecular formula C12H20ClN3O3S and a molecular weight of 321.83 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethyl)-2-propylimidazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-(2-morpholin-4-ylethyl)-2-propylimidazole-4-sulfonyl chloride
PubChem CID82913869
Molecular FormulaC12H20ClN3O3S
Molecular Weight321.83 g/mol
Exact Mass321.09
IUPAC Name1-(2-morpholin-4-ylethyl)-2-propylimidazole-4-sulfonyl chloride
SMILESCCCc1nc(S(=O)(=O)Cl)cn1CCN1CCOCC1
InChIInChI=1S/C12H20ClN3O3S/c1-2-3-11-14-12(20(13,17)18)10-16(11)5-4-15-6-8-19-9-7-15/h10H,2-9H2,1H3
InChIKeyBSRJVCIOFOPQII-UHFFFAOYSA-N
XLogP1.10
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylethyl)-2-propylimidazole-4-sulfonyl chloride?
The IUPAC name of 1-(2-morpholin-4-ylethyl)-2-propylimidazole-4-sulfonyl chloride (CID 82913869) is 1-(2-morpholin-4-ylethyl)-2-propylimidazole-4-sulfonyl chloride.
What is the SMILES notation for 1-(2-morpholin-4-ylethyl)-2-propylimidazole-4-sulfonyl chloride?
The canonical SMILES for 1-(2-morpholin-4-ylethyl)-2-propylimidazole-4-sulfonyl chloride is CCCc1nc(S(=O)(=O)Cl)cn1CCN1CCOCC1.
What is the InChIKey of 1-(2-morpholin-4-ylethyl)-2-propylimidazole-4-sulfonyl chloride?
The InChIKey is BSRJVCIOFOPQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O3S/c1-2-3-11-14-12(20(13,17)18)10-16(11)5-4-15-6-8-19-9-7-15/h10H,2-9H2,1H3.
What are the key properties of 1-(2-morpholin-4-ylethyl)-2-propylimidazole-4-sulfonyl chloride?
1-(2-morpholin-4-ylethyl)-2-propylimidazole-4-sulfonyl chloride has a molecular weight of 321.83 g/mol, XLogP of 1.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylethyl)-2-propylimidazole-4-sulfonyl chloride is sourced from PubChem (CID 82913869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).