2-(pyrrolidin-1-ylsulfonylamino)cyclopentane-1-carbothioamide

C10H19N3O2S2 — CID 55153854

IUPAC2-(pyrrolidin-1-ylsulfonylamino)cyclopentane-1-carbothioamide
SMILESNC(=S)C1CCCC1NS(=O)(=O)N1CCCC1
InChIInChI=1S/C10H19N3O2S2/c11-10(16)8-4-3-5-9(8)12-17(14,15)13-6-1-2-7-13/h8-9,12H,1-7H2,(H2,11,16)
InChIKeyFRLIJTNBSAALOM-UHFFFAOYSA-N
MW277.41 g/mol
LogP0.37
Rot. Bonds4

About 2-(pyrrolidin-1-ylsulfonylamino)cyclopentane-1-carbothioamide

2-(pyrrolidin-1-ylsulfonylamino)cyclopentane-1-carbothioamide (PubChem CID 55153854) has the molecular formula C10H19N3O2S2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(pyrrolidin-1-ylsulfonylamino)cyclopentane-1-carbothioamide.

Molecular Properties

Compound Name2-(pyrrolidin-1-ylsulfonylamino)cyclopentane-1-carbothioamide
PubChem CID55153854
Molecular FormulaC10H19N3O2S2
Molecular Weight277.41 g/mol
Exact Mass277.09
IUPAC Name2-(pyrrolidin-1-ylsulfonylamino)cyclopentane-1-carbothioamide
SMILESNC(=S)C1CCCC1NS(=O)(=O)N1CCCC1
InChIInChI=1S/C10H19N3O2S2/c11-10(16)8-4-3-5-9(8)12-17(14,15)13-6-1-2-7-13/h8-9,12H,1-7H2,(H2,11,16)
InChIKeyFRLIJTNBSAALOM-UHFFFAOYSA-N
XLogP0.37
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
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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Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidin-1-ylsulfonylamino)cyclopentane-1-carbothioamide?
The IUPAC name of 2-(pyrrolidin-1-ylsulfonylamino)cyclopentane-1-carbothioamide (CID 55153854) is 2-(pyrrolidin-1-ylsulfonylamino)cyclopentane-1-carbothioamide.
What is the SMILES notation for 2-(pyrrolidin-1-ylsulfonylamino)cyclopentane-1-carbothioamide?
The canonical SMILES for 2-(pyrrolidin-1-ylsulfonylamino)cyclopentane-1-carbothioamide is NC(=S)C1CCCC1NS(=O)(=O)N1CCCC1.
What is the InChIKey of 2-(pyrrolidin-1-ylsulfonylamino)cyclopentane-1-carbothioamide?
The InChIKey is FRLIJTNBSAALOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S2/c11-10(16)8-4-3-5-9(8)12-17(14,15)13-6-1-2-7-13/h8-9,12H,1-7H2,(H2,11,16).
What are the key properties of 2-(pyrrolidin-1-ylsulfonylamino)cyclopentane-1-carbothioamide?
2-(pyrrolidin-1-ylsulfonylamino)cyclopentane-1-carbothioamide has a molecular weight of 277.41 g/mol, XLogP of 0.37, 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)cyclopentane-1-carbothioamide is sourced from PubChem (CID 55153854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).