1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-2-amine

C9H16N4O2S — CID 79372688

IUPAC1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-2-amine
SMILESCCn1cnc(S(=O)(=O)N2CCCC2N)c1
InChIInChI=1S/C9H16N4O2S/c1-2-12-6-9(11-7-12)16(14,15)13-5-3-4-8(13)10/h6-8H,2-5,10H2,1H3
InChIKeyPJSSJBBLGFCZRT-UHFFFAOYSA-N
MW244.32 g/mol
LogP-0.03
Rot. Bonds3

About 1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-2-amine

1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-2-amine (PubChem CID 79372688) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is 1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-2-amine.

Molecular Properties

Compound Name1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-2-amine
PubChem CID79372688
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC Name1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-2-amine
SMILESCCn1cnc(S(=O)(=O)N2CCCC2N)c1
InChIInChI=1S/C9H16N4O2S/c1-2-12-6-9(11-7-12)16(14,15)13-5-3-4-8(13)10/h6-8H,2-5,10H2,1H3
InChIKeyPJSSJBBLGFCZRT-UHFFFAOYSA-N
XLogP-0.03
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 5-0.03
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)sulfonylpyrrolidin-2-amine?
The IUPAC name of 1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-2-amine (CID 79372688) is 1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-2-amine.
What is the SMILES notation for 1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-2-amine?
The canonical SMILES for 1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-2-amine is CCn1cnc(S(=O)(=O)N2CCCC2N)c1.
What is the InChIKey of 1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-2-amine?
The InChIKey is PJSSJBBLGFCZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c1-2-12-6-9(11-7-12)16(14,15)13-5-3-4-8(13)10/h6-8H,2-5,10H2,1H3.
What are the key properties of 1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-2-amine?
1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-2-amine has a molecular weight of 244.32 g/mol, XLogP of -0.03, 3 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)sulfonylpyrrolidin-2-amine is sourced from PubChem (CID 79372688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).