2-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]sulfanylacetamide

C9H16N2O3S — CID 62916765

IUPAC2-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]sulfanylacetamide
SMILESNC(=O)CSCCC(=O)N1CCC(O)C1
InChIInChI=1S/C9H16N2O3S/c10-8(13)6-15-4-2-9(14)11-3-1-7(12)5-11/h7,12H,1-6H2,(H2,10,13)
InChIKeyKOFNIXPEHZMZAO-UHFFFAOYSA-N
MW232.30 g/mol
LogP-0.81
Rot. Bonds5

About 2-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]sulfanylacetamide

2-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]sulfanylacetamide (PubChem CID 62916765) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is 2-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]sulfanylacetamide
PubChem CID62916765
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC Name2-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]sulfanylacetamide
SMILESNC(=O)CSCCC(=O)N1CCC(O)C1
InChIInChI=1S/C9H16N2O3S/c10-8(13)6-15-4-2-9(14)11-3-1-7(12)5-11/h7,12H,1-6H2,(H2,10,13)
InChIKeyKOFNIXPEHZMZAO-UHFFFAOYSA-N
XLogP-0.81
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]sulfanylacetamide?
The IUPAC name of 2-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]sulfanylacetamide (CID 62916765) is 2-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]sulfanylacetamide.
What is the SMILES notation for 2-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]sulfanylacetamide?
The canonical SMILES for 2-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]sulfanylacetamide is NC(=O)CSCCC(=O)N1CCC(O)C1.
What is the InChIKey of 2-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]sulfanylacetamide?
The InChIKey is KOFNIXPEHZMZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c10-8(13)6-15-4-2-9(14)11-3-1-7(12)5-11/h7,12H,1-6H2,(H2,10,13).
What are the key properties of 2-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]sulfanylacetamide?
2-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]sulfanylacetamide has a molecular weight of 232.30 g/mol, XLogP of -0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]sulfanylacetamide is sourced from PubChem (CID 62916765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).