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

C10H19N3O2S2 — CID 61125054

IUPAC1-(pyrrolidin-1-ylsulfonylamino)cyclopentane-1-carbothioamide
SMILESNC(=S)C1(NS(=O)(=O)N2CCCC2)CCCC1
InChIInChI=1S/C10H19N3O2S2/c11-9(16)10(5-1-2-6-10)12-17(14,15)13-7-3-4-8-13/h12H,1-8H2,(H2,11,16)
InChIKeyPXFXQNWVGSRUHS-UHFFFAOYSA-N
MW277.41 g/mol
LogP0.52
Rot. Bonds4

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

1-(pyrrolidin-1-ylsulfonylamino)cyclopentane-1-carbothioamide (PubChem CID 61125054) has the molecular formula C10H19N3O2S2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(pyrrolidin-1-ylsulfonylamino)cyclopentane-1-carbothioamide.

Molecular Properties

Compound Name1-(pyrrolidin-1-ylsulfonylamino)cyclopentane-1-carbothioamide
PubChem CID61125054
Molecular FormulaC10H19N3O2S2
Molecular Weight277.41 g/mol
Exact Mass277.09
IUPAC Name1-(pyrrolidin-1-ylsulfonylamino)cyclopentane-1-carbothioamide
SMILESNC(=S)C1(NS(=O)(=O)N2CCCC2)CCCC1
InChIInChI=1S/C10H19N3O2S2/c11-9(16)10(5-1-2-6-10)12-17(14,15)13-7-3-4-8-13/h12H,1-8H2,(H2,11,16)
InChIKeyPXFXQNWVGSRUHS-UHFFFAOYSA-N
XLogP0.52
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 ≤ 50.52
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

N-[1-(aminomethyl)cyclopentyl]pyrrolidine-1-sulfonamide
CID 28940512
1-[[Methyl(propan-2-yl)sulfamoyl]amino]cyclopentane-1-carbothioamide
CID 54947200
2-(Pyrrolidin-1-ylsulfonylamino)cyclopentane-1-carbothioamide
CID 55153854
1-(Azepan-1-ylsulfonylamino)cyclopentane-1-carbothioamide
CID 61122266
1-[(3-Methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carbothioamide
CID 61122268
1-(Pyrrolidin-1-ylsulfonylamino)cycloheptane-1-carbothioamide
CID 61122283
1-[(2-Methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carbothioamide
CID 61122463
1-(Pyrrolidin-1-ylsulfonylamino)cyclohexane-1-carbothioamide
CID 61122468
1-(Dimethylsulfamoylamino)cyclopentane-1-carbothioamide
CID 61122660
1-(1,1-Dioxo-1,2-thiazolidin-2-yl)cyclopentane-1-carbothioamide
CID 61122725
1-(Pyrrolidin-1-ylsulfonylamino)cyclooctane-1-carbothioamide
CID 61123580
1-(Diethylsulfamoylamino)cyclopentane-1-carbothioamide
CID 61124459

Frequently Asked Questions

What is the IUPAC name of 1-(pyrrolidin-1-ylsulfonylamino)cyclopentane-1-carbothioamide?
The IUPAC name of 1-(pyrrolidin-1-ylsulfonylamino)cyclopentane-1-carbothioamide (CID 61125054) is 1-(pyrrolidin-1-ylsulfonylamino)cyclopentane-1-carbothioamide.
What is the SMILES notation for 1-(pyrrolidin-1-ylsulfonylamino)cyclopentane-1-carbothioamide?
The canonical SMILES for 1-(pyrrolidin-1-ylsulfonylamino)cyclopentane-1-carbothioamide is NC(=S)C1(NS(=O)(=O)N2CCCC2)CCCC1.
What is the InChIKey of 1-(pyrrolidin-1-ylsulfonylamino)cyclopentane-1-carbothioamide?
The InChIKey is PXFXQNWVGSRUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S2/c11-9(16)10(5-1-2-6-10)12-17(14,15)13-7-3-4-8-13/h12H,1-8H2,(H2,11,16).
What are the key properties of 1-(pyrrolidin-1-ylsulfonylamino)cyclopentane-1-carbothioamide?
1-(pyrrolidin-1-ylsulfonylamino)cyclopentane-1-carbothioamide has a molecular weight of 277.41 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrrolidin-1-ylsulfonylamino)cyclopentane-1-carbothioamide is sourced from PubChem (CID 61125054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).