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

C11H21N3O2S2 — CID 62957475

IUPAC2-(piperidin-1-ylsulfonylamino)cyclopentane-1-carbothioamide
SMILESNC(=S)C1CCCC1NS(=O)(=O)N1CCCCC1
InChIInChI=1S/C11H21N3O2S2/c12-11(17)9-5-4-6-10(9)13-18(15,16)14-7-2-1-3-8-14/h9-10,13H,1-8H2,(H2,12,17)
InChIKeyWJRGSKKWDAACJK-UHFFFAOYSA-N
MW291.44 g/mol
LogP0.76
Rot. Bonds4

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

2-(piperidin-1-ylsulfonylamino)cyclopentane-1-carbothioamide (PubChem CID 62957475) has the molecular formula C11H21N3O2S2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-(piperidin-1-ylsulfonylamino)cyclopentane-1-carbothioamide.

Molecular Properties

Compound Name2-(piperidin-1-ylsulfonylamino)cyclopentane-1-carbothioamide
PubChem CID62957475
Molecular FormulaC11H21N3O2S2
Molecular Weight291.44 g/mol
Exact Mass291.11
IUPAC Name2-(piperidin-1-ylsulfonylamino)cyclopentane-1-carbothioamide
SMILESNC(=S)C1CCCC1NS(=O)(=O)N1CCCCC1
InChIInChI=1S/C11H21N3O2S2/c12-11(17)9-5-4-6-10(9)13-18(15,16)14-7-2-1-3-8-14/h9-10,13H,1-8H2,(H2,12,17)
InChIKeyWJRGSKKWDAACJK-UHFFFAOYSA-N
XLogP0.76
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
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-(cyclopropylsulfonylamino)cyclopentane-1-carbothioamide
CID 64553686
N-[2-(aminomethyl)cyclohexyl]piperidine-1-sulfonamide;hydrochloride
CID 119986003
N-(2-carbamothioylcyclopentyl)piperidine-1-carboxamide
CID 79154927
N-(2-ethylcyclohexyl)azepane-1-sulfonamide
CID 47030327
2-(2-methylsulfonylethylsulfonylamino)cyclopentane-1-carbothioamide
CID 63243310
3-(piperidin-1-ylsulfonylamino)cyclohexane-1-carboxylic acid
CID 63042575
1-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]piperidine-3-carboxylic acid
CID 106359331
N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]pyrrolidine-1-sulfonamide
CID 70769862
N-cycloheptylpiperidine-1-sulfonamide
CID 110705910
N'-hydroxy-2-[(2-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carboximidamide
CID 76978346
N-(2-carbamothioylcyclopentyl)formamide
CID 64991853
N-cyclopropylpyrrolidine-1-sulfonamide
CID 60723889

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-1-ylsulfonylamino)cyclopentane-1-carbothioamide?
The IUPAC name of 2-(piperidin-1-ylsulfonylamino)cyclopentane-1-carbothioamide (CID 62957475) is 2-(piperidin-1-ylsulfonylamino)cyclopentane-1-carbothioamide.
What is the SMILES notation for 2-(piperidin-1-ylsulfonylamino)cyclopentane-1-carbothioamide?
The canonical SMILES for 2-(piperidin-1-ylsulfonylamino)cyclopentane-1-carbothioamide is NC(=S)C1CCCC1NS(=O)(=O)N1CCCCC1.
What is the InChIKey of 2-(piperidin-1-ylsulfonylamino)cyclopentane-1-carbothioamide?
The InChIKey is WJRGSKKWDAACJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S2/c12-11(17)9-5-4-6-10(9)13-18(15,16)14-7-2-1-3-8-14/h9-10,13H,1-8H2,(H2,12,17).
What are the key properties of 2-(piperidin-1-ylsulfonylamino)cyclopentane-1-carbothioamide?
2-(piperidin-1-ylsulfonylamino)cyclopentane-1-carbothioamide has a molecular weight of 291.44 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-1-ylsulfonylamino)cyclopentane-1-carbothioamide is sourced from PubChem (CID 62957475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).