(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl) carbamimidothioate

C10H15N3O2S — CID 65211921

IUPAC(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl) carbamimidothioate
SMILES[H]/N=C(\N)SC1CC(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C10H15N3O2S/c11-10(12)16-7-5-8(14)13(9(7)15)6-3-1-2-4-6/h6-7H,1-5H2,(H3,11,12)
InChIKeyKQUAEOGLDBCSLQ-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.68
Rot. Bonds2

About (1-cyclopentyl-2,5-dioxopyrrolidin-3-yl) carbamimidothioate

(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl) carbamimidothioate (PubChem CID 65211921) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is (1-cyclopentyl-2,5-dioxopyrrolidin-3-yl) carbamimidothioate.

Molecular Properties

Compound Name(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl) carbamimidothioate
PubChem CID65211921
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl) carbamimidothioate
SMILES[H]/N=C(\N)SC1CC(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C10H15N3O2S/c11-10(12)16-7-5-8(14)13(9(7)15)6-3-1-2-4-6/h6-7H,1-5H2,(H3,11,12)
InChIKeyKQUAEOGLDBCSLQ-UHFFFAOYSA-N
XLogP0.68
TPSA87.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-cyclopentyl-2,5-dioxopyrrolidin-3-yl) carbamimidothioate?
The IUPAC name of (1-cyclopentyl-2,5-dioxopyrrolidin-3-yl) carbamimidothioate (CID 65211921) is (1-cyclopentyl-2,5-dioxopyrrolidin-3-yl) carbamimidothioate.
What is the SMILES notation for (1-cyclopentyl-2,5-dioxopyrrolidin-3-yl) carbamimidothioate?
The canonical SMILES for (1-cyclopentyl-2,5-dioxopyrrolidin-3-yl) carbamimidothioate is [H]/N=C(\N)SC1CC(=O)N(C2CCCC2)C1=O.
What is the InChIKey of (1-cyclopentyl-2,5-dioxopyrrolidin-3-yl) carbamimidothioate?
The InChIKey is KQUAEOGLDBCSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c11-10(12)16-7-5-8(14)13(9(7)15)6-3-1-2-4-6/h6-7H,1-5H2,(H3,11,12).
What are the key properties of (1-cyclopentyl-2,5-dioxopyrrolidin-3-yl) carbamimidothioate?
(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl) carbamimidothioate has a molecular weight of 241.32 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopentyl-2,5-dioxopyrrolidin-3-yl) carbamimidothioate is sourced from PubChem (CID 65211921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).