2-(pyrrolidin-1-ylsulfonylamino)pentanethioamide

C9H19N3O2S2 — CID 61123062

IUPAC2-(pyrrolidin-1-ylsulfonylamino)pentanethioamide
SMILESCCCC(NS(=O)(=O)N1CCCC1)C(N)=S
InChIInChI=1S/C9H19N3O2S2/c1-2-5-8(9(10)15)11-16(13,14)12-6-3-4-7-12/h8,11H,2-7H2,1H3,(H2,10,15)
InChIKeyMVDLYHGAALTZPF-UHFFFAOYSA-N
MW265.40 g/mol
LogP0.37
Rot. Bonds6

About 2-(pyrrolidin-1-ylsulfonylamino)pentanethioamide

2-(pyrrolidin-1-ylsulfonylamino)pentanethioamide (PubChem CID 61123062) has the molecular formula C9H19N3O2S2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-(pyrrolidin-1-ylsulfonylamino)pentanethioamide.

Molecular Properties

Compound Name2-(pyrrolidin-1-ylsulfonylamino)pentanethioamide
PubChem CID61123062
Molecular FormulaC9H19N3O2S2
Molecular Weight265.40 g/mol
Exact Mass265.09
IUPAC Name2-(pyrrolidin-1-ylsulfonylamino)pentanethioamide
SMILESCCCC(NS(=O)(=O)N1CCCC1)C(N)=S
InChIInChI=1S/C9H19N3O2S2/c1-2-5-8(9(10)15)11-16(13,14)12-6-3-4-7-12/h8,11H,2-7H2,1H3,(H2,10,15)
InChIKeyMVDLYHGAALTZPF-UHFFFAOYSA-N
XLogP0.37
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 50.37
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

(2S)-2-[(dimethylsulfamoylamino)methyl]-1-methylpyrrolidine
CID 59708486
(2S)-N-methylsulfonylpyrrolidine-2-carbothioamide
CID 90049849
(2S)-2-(sulfinatocarbamothioyl)pyrrolidine
CID 90049852
2-[[Methyl(propan-2-ylsulfamoyl)amino]methyl]pyrrolidine
CID 106607017
N-methylsulfonylpyrrolidine-2-carbothioamide
CID 145682630
3-[Propan-2-yl(pyrrolidin-1-ylsulfonyl)amino]propanethioamide
CID 54998048
2-Methyl-2-(pyrrolidin-1-ylsulfonylamino)propanethioamide
CID 61119054
2-(Diethylsulfamoylamino)pentanethioamide
CID 61122652
2-(Piperidin-1-ylsulfonylamino)pentanethioamide
CID 61122653
2-(1,1-Dioxo-1,2-thiazolidin-2-yl)pentanethioamide
CID 61122724
2-Methyl-2-(pyrrolidin-1-ylsulfonylamino)butanethioamide
CID 61122884
2-(Piperidin-1-ylsulfonylamino)propanethioamide
CID 61123237

Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidin-1-ylsulfonylamino)pentanethioamide?
The IUPAC name of 2-(pyrrolidin-1-ylsulfonylamino)pentanethioamide (CID 61123062) is 2-(pyrrolidin-1-ylsulfonylamino)pentanethioamide.
What is the SMILES notation for 2-(pyrrolidin-1-ylsulfonylamino)pentanethioamide?
The canonical SMILES for 2-(pyrrolidin-1-ylsulfonylamino)pentanethioamide is CCCC(NS(=O)(=O)N1CCCC1)C(N)=S.
What is the InChIKey of 2-(pyrrolidin-1-ylsulfonylamino)pentanethioamide?
The InChIKey is MVDLYHGAALTZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2S2/c1-2-5-8(9(10)15)11-16(13,14)12-6-3-4-7-12/h8,11H,2-7H2,1H3,(H2,10,15).
What are the key properties of 2-(pyrrolidin-1-ylsulfonylamino)pentanethioamide?
2-(pyrrolidin-1-ylsulfonylamino)pentanethioamide has a molecular weight of 265.40 g/mol, XLogP of 0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidin-1-ylsulfonylamino)pentanethioamide is sourced from PubChem (CID 61123062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).