2-(pyrrolidin-1-ylsulfonylamino)butanethioamide

C8H17N3O2S2 — CID 61124443

IUPAC2-(pyrrolidin-1-ylsulfonylamino)butanethioamide
SMILESCCC(NS(=O)(=O)N1CCCC1)C(N)=S
InChIInChI=1S/C8H17N3O2S2/c1-2-7(8(9)14)10-15(12,13)11-5-3-4-6-11/h7,10H,2-6H2,1H3,(H2,9,14)
InChIKeyQCNHDBURVPBEDI-UHFFFAOYSA-N
MW251.38 g/mol
LogP-0.02
Rot. Bonds5

About 2-(pyrrolidin-1-ylsulfonylamino)butanethioamide

2-(pyrrolidin-1-ylsulfonylamino)butanethioamide (PubChem CID 61124443) has the molecular formula C8H17N3O2S2 and a molecular weight of 251.38 g/mol. Its IUPAC name is 2-(pyrrolidin-1-ylsulfonylamino)butanethioamide.

Molecular Properties

Compound Name2-(pyrrolidin-1-ylsulfonylamino)butanethioamide
PubChem CID61124443
Molecular FormulaC8H17N3O2S2
Molecular Weight251.38 g/mol
Exact Mass251.08
IUPAC Name2-(pyrrolidin-1-ylsulfonylamino)butanethioamide
SMILESCCC(NS(=O)(=O)N1CCCC1)C(N)=S
InChIInChI=1S/C8H17N3O2S2/c1-2-7(8(9)14)10-15(12,13)11-5-3-4-6-11/h7,10H,2-6H2,1H3,(H2,9,14)
InChIKeyQCNHDBURVPBEDI-UHFFFAOYSA-N
XLogP-0.02
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 5-0.02
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

3-[Methyl(pyrrolidin-1-ylsulfonyl)amino]propanethioamide
CID 28785099
3-[Cyclopropyl(pyrrolidin-1-ylsulfonyl)amino]propanethioamide
CID 54997332
3-[Propan-2-yl(pyrrolidin-1-ylsulfonyl)amino]propanethioamide
CID 54998048
N-butan-2-ylpyrrolidine-1-sulfonamide
CID 60723561
2-Methyl-2-(pyrrolidin-1-ylsulfonylamino)propanethioamide
CID 61119054
2-(Diethylsulfamoylamino)pentanethioamide
CID 61122652
2-Methyl-2-(pyrrolidin-1-ylsulfonylamino)butanethioamide
CID 61122884
2-(Diethylsulfamoylamino)propanethioamide
CID 61123043
2-(Pyrrolidin-1-ylsulfonylamino)pentanethioamide
CID 61123062
2-(Pyrrolidin-1-ylsulfonylamino)propanethioamide
CID 61123440
N-(1-aminopropan-2-yl)pyrrolidine-1-sulfonamide
CID 61124155
2-(Diethylsulfamoylamino)butanethioamide
CID 61124244

Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidin-1-ylsulfonylamino)butanethioamide?
The IUPAC name of 2-(pyrrolidin-1-ylsulfonylamino)butanethioamide (CID 61124443) is 2-(pyrrolidin-1-ylsulfonylamino)butanethioamide.
What is the SMILES notation for 2-(pyrrolidin-1-ylsulfonylamino)butanethioamide?
The canonical SMILES for 2-(pyrrolidin-1-ylsulfonylamino)butanethioamide is CCC(NS(=O)(=O)N1CCCC1)C(N)=S.
What is the InChIKey of 2-(pyrrolidin-1-ylsulfonylamino)butanethioamide?
The InChIKey is QCNHDBURVPBEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2S2/c1-2-7(8(9)14)10-15(12,13)11-5-3-4-6-11/h7,10H,2-6H2,1H3,(H2,9,14).
What are the key properties of 2-(pyrrolidin-1-ylsulfonylamino)butanethioamide?
2-(pyrrolidin-1-ylsulfonylamino)butanethioamide has a molecular weight of 251.38 g/mol, XLogP of -0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidin-1-ylsulfonylamino)butanethioamide is sourced from PubChem (CID 61124443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).