2-(pyrrolidin-1-ylsulfonylamino)propanethioamide

C7H15N3O2S2 — CID 61123440

IUPAC2-(pyrrolidin-1-ylsulfonylamino)propanethioamide
SMILESCC(NS(=O)(=O)N1CCCC1)C(N)=S
InChIInChI=1S/C7H15N3O2S2/c1-6(7(8)13)9-14(11,12)10-4-2-3-5-10/h6,9H,2-5H2,1H3,(H2,8,13)
InChIKeyWIBXSPNSQZBOQM-UHFFFAOYSA-N
MW237.35 g/mol
LogP-0.41
Rot. Bonds4

About 2-(pyrrolidin-1-ylsulfonylamino)propanethioamide

2-(pyrrolidin-1-ylsulfonylamino)propanethioamide (PubChem CID 61123440) has the molecular formula C7H15N3O2S2 and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-(pyrrolidin-1-ylsulfonylamino)propanethioamide.

Molecular Properties

Compound Name2-(pyrrolidin-1-ylsulfonylamino)propanethioamide
PubChem CID61123440
Molecular FormulaC7H15N3O2S2
Molecular Weight237.35 g/mol
Exact Mass237.06
IUPAC Name2-(pyrrolidin-1-ylsulfonylamino)propanethioamide
SMILESCC(NS(=O)(=O)N1CCCC1)C(N)=S
InChIInChI=1S/C7H15N3O2S2/c1-6(7(8)13)9-14(11,12)10-4-2-3-5-10/h6,9H,2-5H2,1H3,(H2,8,13)
InChIKeyWIBXSPNSQZBOQM-UHFFFAOYSA-N
XLogP-0.41
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 5-0.41
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)-N-methylsulfonylpyrrolidine-2-carbothioamide
CID 90049849
(2S)-2-(sulfinatocarbamothioyl)pyrrolidine
CID 90049852
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-(1,1-Dioxo-1,2-thiazolidin-2-yl)butanethioamide
CID 61122723
2-(Diethylsulfamoylamino)propanethioamide
CID 61123043
2-(Pyrrolidin-1-ylsulfonylamino)pentanethioamide
CID 61123062
2-(Dimethylsulfamoylamino)propanethioamide
CID 61124040
N-(1-aminopropan-2-yl)pyrrolidine-1-sulfonamide
CID 61124155
2-(Diethylsulfamoylamino)butanethioamide
CID 61124244
2-(Pyrrolidin-1-ylsulfonylamino)butanethioamide
CID 61124443

Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidin-1-ylsulfonylamino)propanethioamide?
The IUPAC name of 2-(pyrrolidin-1-ylsulfonylamino)propanethioamide (CID 61123440) is 2-(pyrrolidin-1-ylsulfonylamino)propanethioamide.
What is the SMILES notation for 2-(pyrrolidin-1-ylsulfonylamino)propanethioamide?
The canonical SMILES for 2-(pyrrolidin-1-ylsulfonylamino)propanethioamide is CC(NS(=O)(=O)N1CCCC1)C(N)=S.
What is the InChIKey of 2-(pyrrolidin-1-ylsulfonylamino)propanethioamide?
The InChIKey is WIBXSPNSQZBOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2S2/c1-6(7(8)13)9-14(11,12)10-4-2-3-5-10/h6,9H,2-5H2,1H3,(H2,8,13).
What are the key properties of 2-(pyrrolidin-1-ylsulfonylamino)propanethioamide?
2-(pyrrolidin-1-ylsulfonylamino)propanethioamide has a molecular weight of 237.35 g/mol, XLogP of -0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidin-1-ylsulfonylamino)propanethioamide is sourced from PubChem (CID 61123440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).