1-(1-ethylimidazol-4-yl)sulfonyl-3-propylazetidin-3-amine

C11H20N4O2S — CID 79375583

IUPAC1-(1-ethylimidazol-4-yl)sulfonyl-3-propylazetidin-3-amine
SMILESCCCC1(N)CN(S(=O)(=O)c2cn(CC)cn2)C1
InChIInChI=1S/C11H20N4O2S/c1-3-5-11(12)7-15(8-11)18(16,17)10-6-14(4-2)9-13-10/h6,9H,3-5,7-8,12H2,1-2H3
InChIKeyJVTXIOKJBYUVTD-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.40
Rot. Bonds5

About 1-(1-ethylimidazol-4-yl)sulfonyl-3-propylazetidin-3-amine

1-(1-ethylimidazol-4-yl)sulfonyl-3-propylazetidin-3-amine (PubChem CID 79375583) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-(1-ethylimidazol-4-yl)sulfonyl-3-propylazetidin-3-amine.

Molecular Properties

Compound Name1-(1-ethylimidazol-4-yl)sulfonyl-3-propylazetidin-3-amine
PubChem CID79375583
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name1-(1-ethylimidazol-4-yl)sulfonyl-3-propylazetidin-3-amine
SMILESCCCC1(N)CN(S(=O)(=O)c2cn(CC)cn2)C1
InChIInChI=1S/C11H20N4O2S/c1-3-5-11(12)7-15(8-11)18(16,17)10-6-14(4-2)9-13-10/h6,9H,3-5,7-8,12H2,1-2H3
InChIKeyJVTXIOKJBYUVTD-UHFFFAOYSA-N
XLogP0.40
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-4-yl)sulfonyl-3-propylazetidin-3-amine?
The IUPAC name of 1-(1-ethylimidazol-4-yl)sulfonyl-3-propylazetidin-3-amine (CID 79375583) is 1-(1-ethylimidazol-4-yl)sulfonyl-3-propylazetidin-3-amine.
What is the SMILES notation for 1-(1-ethylimidazol-4-yl)sulfonyl-3-propylazetidin-3-amine?
The canonical SMILES for 1-(1-ethylimidazol-4-yl)sulfonyl-3-propylazetidin-3-amine is CCCC1(N)CN(S(=O)(=O)c2cn(CC)cn2)C1.
What is the InChIKey of 1-(1-ethylimidazol-4-yl)sulfonyl-3-propylazetidin-3-amine?
The InChIKey is JVTXIOKJBYUVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-3-5-11(12)7-15(8-11)18(16,17)10-6-14(4-2)9-13-10/h6,9H,3-5,7-8,12H2,1-2H3.
What are the key properties of 1-(1-ethylimidazol-4-yl)sulfonyl-3-propylazetidin-3-amine?
1-(1-ethylimidazol-4-yl)sulfonyl-3-propylazetidin-3-amine has a molecular weight of 272.37 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylimidazol-4-yl)sulfonyl-3-propylazetidin-3-amine is sourced from PubChem (CID 79375583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).