2-carbamothioyl-N-(5-oxopyrrolidin-3-yl)pentanamide

C10H17N3O2S — CID 106189156

IUPAC2-carbamothioyl-N-(5-oxopyrrolidin-3-yl)pentanamide
SMILESCCCC(C(=O)NC1CNC(=O)C1)C(N)=S
InChIInChI=1S/C10H17N3O2S/c1-2-3-7(9(11)16)10(15)13-6-4-8(14)12-5-6/h6-7H,2-5H2,1H3,(H2,11,16)(H,12,14)(H,13,15)
InChIKeyJGTCATMALROYDK-UHFFFAOYSA-N
MW243.33 g/mol
LogP-0.31
Rot. Bonds5

About 2-carbamothioyl-N-(5-oxopyrrolidin-3-yl)pentanamide

2-carbamothioyl-N-(5-oxopyrrolidin-3-yl)pentanamide (PubChem CID 106189156) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-carbamothioyl-N-(5-oxopyrrolidin-3-yl)pentanamide.

Molecular Properties

Compound Name2-carbamothioyl-N-(5-oxopyrrolidin-3-yl)pentanamide
PubChem CID106189156
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name2-carbamothioyl-N-(5-oxopyrrolidin-3-yl)pentanamide
SMILESCCCC(C(=O)NC1CNC(=O)C1)C(N)=S
InChIInChI=1S/C10H17N3O2S/c1-2-3-7(9(11)16)10(15)13-6-4-8(14)12-5-6/h6-7H,2-5H2,1H3,(H2,11,16)(H,12,14)(H,13,15)
InChIKeyJGTCATMALROYDK-UHFFFAOYSA-N
XLogP-0.31
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-(5-oxopyrrolidin-3-yl)pentanamide
CID 106187633
(2R)-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid
CID 106192089
2-amino-N-(6-oxopiperidin-3-yl)pentanamide
CID 63661228
2-carbamothioyl-N-(2,2,3,3-tetramethylcyclopropyl)pentanamide
CID 79363056
(2R)-2-amino-4-methyl-N-(5-oxopyrrolidin-3-yl)pentanamide
CID 106187627
(2S)-2-amino-4-methylsulfanyl-N-(5-oxopyrrolidin-3-yl)butanamide
CID 106187684
3-amino-N-(5-oxopyrrolidin-3-yl)pentanamide
CID 106187621
(2S)-2-acetamido-N-[(3S)-5-oxopyrrolidin-3-yl]propanamide;propane
CID 144964552
4-hydroxy-N-(5-oxopyrrolidin-3-yl)pentanamide
CID 106197992
4-(2-aminoethyl)-5-methyl-N-(5-oxopyrrolidin-3-yl)hexanamide
CID 114155694
1-methyl-3-(5-oxopyrrolidin-3-yl)thiourea
CID 106186247
2-carbamothioyl-N-(2-methyloxolan-3-yl)pentanamide
CID 82728259

Frequently Asked Questions

What is the IUPAC name of 2-carbamothioyl-N-(5-oxopyrrolidin-3-yl)pentanamide?
The IUPAC name of 2-carbamothioyl-N-(5-oxopyrrolidin-3-yl)pentanamide (CID 106189156) is 2-carbamothioyl-N-(5-oxopyrrolidin-3-yl)pentanamide.
What is the SMILES notation for 2-carbamothioyl-N-(5-oxopyrrolidin-3-yl)pentanamide?
The canonical SMILES for 2-carbamothioyl-N-(5-oxopyrrolidin-3-yl)pentanamide is CCCC(C(=O)NC1CNC(=O)C1)C(N)=S.
What is the InChIKey of 2-carbamothioyl-N-(5-oxopyrrolidin-3-yl)pentanamide?
The InChIKey is JGTCATMALROYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-2-3-7(9(11)16)10(15)13-6-4-8(14)12-5-6/h6-7H,2-5H2,1H3,(H2,11,16)(H,12,14)(H,13,15).
What are the key properties of 2-carbamothioyl-N-(5-oxopyrrolidin-3-yl)pentanamide?
2-carbamothioyl-N-(5-oxopyrrolidin-3-yl)pentanamide has a molecular weight of 243.33 g/mol, XLogP of -0.31, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamothioyl-N-(5-oxopyrrolidin-3-yl)pentanamide is sourced from PubChem (CID 106189156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).