5,5-dihydroxy-N-(2-thiophen-3-ylethyl)pentanamide

C11H17NO3S — CID 123499827

IUPAC5,5-dihydroxy-N-(2-thiophen-3-ylethyl)pentanamide
SMILESO=C(CCCC(O)O)NCCc1ccsc1
InChIInChI=1S/C11H17NO3S/c13-10(2-1-3-11(14)15)12-6-4-9-5-7-16-8-9/h5,7-8,11,14-15H,1-4,6H2,(H,12,13)
InChIKeyNZHFEWHIVGDGOP-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.89
Rot. Bonds7

About 5,5-dihydroxy-N-(2-thiophen-3-ylethyl)pentanamide

5,5-dihydroxy-N-(2-thiophen-3-ylethyl)pentanamide (PubChem CID 123499827) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 5,5-dihydroxy-N-(2-thiophen-3-ylethyl)pentanamide.

Molecular Properties

Compound Name5,5-dihydroxy-N-(2-thiophen-3-ylethyl)pentanamide
PubChem CID123499827
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name5,5-dihydroxy-N-(2-thiophen-3-ylethyl)pentanamide
SMILESO=C(CCCC(O)O)NCCc1ccsc1
InChIInChI=1S/C11H17NO3S/c13-10(2-1-3-11(14)15)12-6-4-9-5-7-16-8-9/h5,7-8,11,14-15H,1-4,6H2,(H,12,13)
InChIKeyNZHFEWHIVGDGOP-UHFFFAOYSA-N
XLogP0.89
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,5-dihydroxy-N-(2-thiophen-3-ylethyl)pentanamide?
The IUPAC name of 5,5-dihydroxy-N-(2-thiophen-3-ylethyl)pentanamide (CID 123499827) is 5,5-dihydroxy-N-(2-thiophen-3-ylethyl)pentanamide.
What is the SMILES notation for 5,5-dihydroxy-N-(2-thiophen-3-ylethyl)pentanamide?
The canonical SMILES for 5,5-dihydroxy-N-(2-thiophen-3-ylethyl)pentanamide is O=C(CCCC(O)O)NCCc1ccsc1.
What is the InChIKey of 5,5-dihydroxy-N-(2-thiophen-3-ylethyl)pentanamide?
The InChIKey is NZHFEWHIVGDGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c13-10(2-1-3-11(14)15)12-6-4-9-5-7-16-8-9/h5,7-8,11,14-15H,1-4,6H2,(H,12,13).
What are the key properties of 5,5-dihydroxy-N-(2-thiophen-3-ylethyl)pentanamide?
5,5-dihydroxy-N-(2-thiophen-3-ylethyl)pentanamide has a molecular weight of 243.33 g/mol, XLogP of 0.89, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dihydroxy-N-(2-thiophen-3-ylethyl)pentanamide is sourced from PubChem (CID 123499827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).