N-(2-cyclopentylsulfanylethyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide

C13H19N3O3S — CID 32542955

IUPACN-(2-cyclopentylsulfanylethyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1ccc(=O)[nH]c1=O)NCCSC1CCCC1
InChIInChI=1S/C13H19N3O3S/c17-11-5-7-16(13(19)15-11)9-12(18)14-6-8-20-10-3-1-2-4-10/h5,7,10H,1-4,6,8-9H2,(H,14,18)(H,15,17,19)
InChIKeyAABAORFKUXOQDG-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.33
Rot. Bonds6

About N-(2-cyclopentylsulfanylethyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide

N-(2-cyclopentylsulfanylethyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 32542955) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-(2-cyclopentylsulfanylethyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyclopentylsulfanylethyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID32542955
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC NameN-(2-cyclopentylsulfanylethyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1ccc(=O)[nH]c1=O)NCCSC1CCCC1
InChIInChI=1S/C13H19N3O3S/c17-11-5-7-16(13(19)15-11)9-12(18)14-6-8-20-10-3-1-2-4-10/h5,7,10H,1-4,6,8-9H2,(H,14,18)(H,15,17,19)
InChIKeyAABAORFKUXOQDG-UHFFFAOYSA-N
XLogP0.33
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 N-(2-cyclopentylsulfanylethyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(2-cyclopentylsulfanylethyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide (CID 32542955) is N-(2-cyclopentylsulfanylethyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(2-cyclopentylsulfanylethyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(2-cyclopentylsulfanylethyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide is O=C(Cn1ccc(=O)[nH]c1=O)NCCSC1CCCC1.
What is the InChIKey of N-(2-cyclopentylsulfanylethyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is AABAORFKUXOQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c17-11-5-7-16(13(19)15-11)9-12(18)14-6-8-20-10-3-1-2-4-10/h5,7,10H,1-4,6,8-9H2,(H,14,18)(H,15,17,19).
What are the key properties of N-(2-cyclopentylsulfanylethyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide?
N-(2-cyclopentylsulfanylethyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 297.38 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylsulfanylethyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 32542955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).