2-ethyl-2-(pyrrolidin-1-ylsulfonylamino)butanethioamide

C10H21N3O2S2 — CID 61124685

IUPAC2-ethyl-2-(pyrrolidin-1-ylsulfonylamino)butanethioamide
SMILESCCC(CC)(NS(=O)(=O)N1CCCC1)C(N)=S
InChIInChI=1S/C10H21N3O2S2/c1-3-10(4-2,9(11)16)12-17(14,15)13-7-5-6-8-13/h12H,3-8H2,1-2H3,(H2,11,16)
InChIKeyDWVUMVIRBVRZTC-UHFFFAOYSA-N
MW279.43 g/mol
LogP0.76
Rot. Bonds6

About 2-ethyl-2-(pyrrolidin-1-ylsulfonylamino)butanethioamide

2-ethyl-2-(pyrrolidin-1-ylsulfonylamino)butanethioamide (PubChem CID 61124685) has the molecular formula C10H21N3O2S2 and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-ethyl-2-(pyrrolidin-1-ylsulfonylamino)butanethioamide.

Molecular Properties

Compound Name2-ethyl-2-(pyrrolidin-1-ylsulfonylamino)butanethioamide
PubChem CID61124685
Molecular FormulaC10H21N3O2S2
Molecular Weight279.43 g/mol
Exact Mass279.11
IUPAC Name2-ethyl-2-(pyrrolidin-1-ylsulfonylamino)butanethioamide
SMILESCCC(CC)(NS(=O)(=O)N1CCCC1)C(N)=S
InChIInChI=1S/C10H21N3O2S2/c1-3-10(4-2,9(11)16)12-17(14,15)13-7-5-6-8-13/h12H,3-8H2,1-2H3,(H2,11,16)
InChIKeyDWVUMVIRBVRZTC-UHFFFAOYSA-N
XLogP0.76
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 50.76
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

2-Ethyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanethioamide
CID 54947202
2-Methyl-2-(pyrrolidin-1-ylsulfonylamino)propanethioamide
CID 61119054
2-(Dimethylsulfamoylamino)-2-ethylbutanethioamide
CID 61122098
1-(Pyrrolidin-1-ylsulfonylamino)cyclohexane-1-carbothioamide
CID 61122468
2-(Diethylsulfamoylamino)-2-methylbutanethioamide
CID 61122681
2-Methyl-2-(pyrrolidin-1-ylsulfonylamino)butanethioamide
CID 61122884
2-(Pyrrolidin-1-ylsulfonylamino)pentanethioamide
CID 61123062
2-(1,1-Dioxo-1,2-thiazolidin-2-yl)-2-ethylbutanethioamide
CID 61123325
1-Methyl-4-(pyrrolidin-1-ylsulfonylamino)piperidine-4-carbothioamide
CID 61123382
N-[3-(aminomethyl)pentan-3-yl]pyrrolidine-1-sulfonamide
CID 61123562
2-(Diethylsulfamoylamino)-2-ethylbutanethioamide
CID 61124290
2-(Pyrrolidin-1-ylsulfonylamino)butanethioamide
CID 61124443

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(pyrrolidin-1-ylsulfonylamino)butanethioamide?
The IUPAC name of 2-ethyl-2-(pyrrolidin-1-ylsulfonylamino)butanethioamide (CID 61124685) is 2-ethyl-2-(pyrrolidin-1-ylsulfonylamino)butanethioamide.
What is the SMILES notation for 2-ethyl-2-(pyrrolidin-1-ylsulfonylamino)butanethioamide?
The canonical SMILES for 2-ethyl-2-(pyrrolidin-1-ylsulfonylamino)butanethioamide is CCC(CC)(NS(=O)(=O)N1CCCC1)C(N)=S.
What is the InChIKey of 2-ethyl-2-(pyrrolidin-1-ylsulfonylamino)butanethioamide?
The InChIKey is DWVUMVIRBVRZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2S2/c1-3-10(4-2,9(11)16)12-17(14,15)13-7-5-6-8-13/h12H,3-8H2,1-2H3,(H2,11,16).
What are the key properties of 2-ethyl-2-(pyrrolidin-1-ylsulfonylamino)butanethioamide?
2-ethyl-2-(pyrrolidin-1-ylsulfonylamino)butanethioamide has a molecular weight of 279.43 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(pyrrolidin-1-ylsulfonylamino)butanethioamide is sourced from PubChem (CID 61124685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).