1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-ol

C9H15N3O3S — CID 79373473

IUPAC1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-ol
SMILESCCn1cnc(S(=O)(=O)N2CCC(O)C2)c1
InChIInChI=1S/C9H15N3O3S/c1-2-11-6-9(10-7-11)16(14,15)12-4-3-8(13)5-12/h6-8,13H,2-5H2,1H3
InChIKeyRASCUMBKUSPLHP-UHFFFAOYSA-N
MW245.30 g/mol
LogP-0.34
Rot. Bonds3

About 1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-ol

1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-ol (PubChem CID 79373473) has the molecular formula C9H15N3O3S and a molecular weight of 245.30 g/mol. Its IUPAC name is 1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-ol
PubChem CID79373473
Molecular FormulaC9H15N3O3S
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC Name1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-ol
SMILESCCn1cnc(S(=O)(=O)N2CCC(O)C2)c1
InChIInChI=1S/C9H15N3O3S/c1-2-11-6-9(10-7-11)16(14,15)12-4-3-8(13)5-12/h6-8,13H,2-5H2,1H3
InChIKeyRASCUMBKUSPLHP-UHFFFAOYSA-N
XLogP-0.34
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 5-0.34
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-3-ol?
The IUPAC name of 1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-ol (CID 79373473) is 1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-ol.
What is the SMILES notation for 1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-ol?
The canonical SMILES for 1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-ol is CCn1cnc(S(=O)(=O)N2CCC(O)C2)c1.
What is the InChIKey of 1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-ol?
The InChIKey is RASCUMBKUSPLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3S/c1-2-11-6-9(10-7-11)16(14,15)12-4-3-8(13)5-12/h6-8,13H,2-5H2,1H3.
What are the key properties of 1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-ol?
1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-ol has a molecular weight of 245.30 g/mol, XLogP of -0.34, 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-3-ol is sourced from PubChem (CID 79373473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).