1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-ethylimidazole-4-sulfonyl chloride

C11H16ClN3O3S — CID 82913602

IUPAC1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-ethylimidazole-4-sulfonyl chloride
SMILESCCc1nc(S(=O)(=O)Cl)cn1C(C)C(=O)NC1CC1
InChIInChI=1S/C11H16ClN3O3S/c1-3-9-14-10(19(12,17)18)6-15(9)7(2)11(16)13-8-4-5-8/h6-8H,3-5H2,1-2H3,(H,13,16)
InChIKeyLJNOTYIYSCQQCI-UHFFFAOYSA-N
MW305.79 g/mol
LogP1.21
Rot. Bonds5

About 1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-ethylimidazole-4-sulfonyl chloride

1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-ethylimidazole-4-sulfonyl chloride (PubChem CID 82913602) has the molecular formula C11H16ClN3O3S and a molecular weight of 305.79 g/mol. Its IUPAC name is 1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-ethylimidazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-ethylimidazole-4-sulfonyl chloride
PubChem CID82913602
Molecular FormulaC11H16ClN3O3S
Molecular Weight305.79 g/mol
Exact Mass305.06
IUPAC Name1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-ethylimidazole-4-sulfonyl chloride
SMILESCCc1nc(S(=O)(=O)Cl)cn1C(C)C(=O)NC1CC1
InChIInChI=1S/C11H16ClN3O3S/c1-3-9-14-10(19(12,17)18)6-15(9)7(2)11(16)13-8-4-5-8/h6-8H,3-5H2,1-2H3,(H,13,16)
InChIKeyLJNOTYIYSCQQCI-UHFFFAOYSA-N
XLogP1.21
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-ethylimidazole-4-sulfonyl chloride?
The IUPAC name of 1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-ethylimidazole-4-sulfonyl chloride (CID 82913602) is 1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-ethylimidazole-4-sulfonyl chloride.
What is the SMILES notation for 1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-ethylimidazole-4-sulfonyl chloride?
The canonical SMILES for 1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-ethylimidazole-4-sulfonyl chloride is CCc1nc(S(=O)(=O)Cl)cn1C(C)C(=O)NC1CC1.
What is the InChIKey of 1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-ethylimidazole-4-sulfonyl chloride?
The InChIKey is LJNOTYIYSCQQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O3S/c1-3-9-14-10(19(12,17)18)6-15(9)7(2)11(16)13-8-4-5-8/h6-8H,3-5H2,1-2H3,(H,13,16).
What are the key properties of 1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-ethylimidazole-4-sulfonyl chloride?
1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-ethylimidazole-4-sulfonyl chloride has a molecular weight of 305.79 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-ethylimidazole-4-sulfonyl chloride is sourced from PubChem (CID 82913602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).