3-amino-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-sulfanylidenepropanamide

C8H13N3O2S — CID 106256271

IUPAC3-amino-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-sulfanylidenepropanamide
SMILESCN1CCC(NC(=O)CC(N)=S)C1=O
InChIInChI=1S/C8H13N3O2S/c1-11-3-2-5(8(11)13)10-7(12)4-6(9)14/h5H,2-4H2,1H3,(H2,9,14)(H,10,12)
InChIKeyCUAAVHXGVBHEBO-UHFFFAOYSA-N
MW215.28 g/mol
LogP-0.99
Rot. Bonds3

About 3-amino-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-sulfanylidenepropanamide

3-amino-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-sulfanylidenepropanamide (PubChem CID 106256271) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 3-amino-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-sulfanylidenepropanamide.

Molecular Properties

Compound Name3-amino-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-sulfanylidenepropanamide
PubChem CID106256271
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name3-amino-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-sulfanylidenepropanamide
SMILESCN1CCC(NC(=O)CC(N)=S)C1=O
InChIInChI=1S/C8H13N3O2S/c1-11-3-2-5(8(11)13)10-7(12)4-6(9)14/h5H,2-4H2,1H3,(H2,9,14)(H,10,12)
InChIKeyCUAAVHXGVBHEBO-UHFFFAOYSA-N
XLogP-0.99
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-N-(1-methyl-2-oxopyrrolidin-3-yl)pentanamide
CID 106259293
2-(2-aminoethoxy)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide
CID 103810783
2-[4-(aminomethyl)phenoxy]-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide
CID 106249589
2-(butan-2-ylamino)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide
CID 106256004
2-[1-(aminomethyl)cyclohexyl]-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide
CID 104844467
2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide
CID 106249481
3-hydroxy-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-phenylbutanamide
CID 110025482
2-hydroxy-2-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)propanamide
CID 106509766
2-chloro-N-(1-methyl-2-oxopiperidin-3-yl)acetamide
CID 131107119
2-(3,5-dichlorophenoxy)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide
CID 71994594
N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-2-phenylmethoxyacetamide
CID 124607045
2-(2-amino-1,3-thiazol-4-yl)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide
CID 106255793

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-sulfanylidenepropanamide?
The IUPAC name of 3-amino-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-sulfanylidenepropanamide (CID 106256271) is 3-amino-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-sulfanylidenepropanamide.
What is the SMILES notation for 3-amino-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-sulfanylidenepropanamide?
The canonical SMILES for 3-amino-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-sulfanylidenepropanamide is CN1CCC(NC(=O)CC(N)=S)C1=O.
What is the InChIKey of 3-amino-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-sulfanylidenepropanamide?
The InChIKey is CUAAVHXGVBHEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-11-3-2-5(8(11)13)10-7(12)4-6(9)14/h5H,2-4H2,1H3,(H2,9,14)(H,10,12).
What are the key properties of 3-amino-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-sulfanylidenepropanamide?
3-amino-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-sulfanylidenepropanamide has a molecular weight of 215.28 g/mol, XLogP of -0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-sulfanylidenepropanamide is sourced from PubChem (CID 106256271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).