2-(cyclopropylsulfonylamino)cyclopentane-1-carbothioamide

C9H16N2O2S2 — CID 64553686

IUPAC2-(cyclopropylsulfonylamino)cyclopentane-1-carbothioamide
SMILESNC(=S)C1CCCC1NS(=O)(=O)C1CC1
InChIInChI=1S/C9H16N2O2S2/c10-9(14)7-2-1-3-8(7)11-15(12,13)6-4-5-6/h6-8,11H,1-5H2,(H2,10,14)
InChIKeyCMCYOCPDJUMLOV-UHFFFAOYSA-N
MW248.37 g/mol
LogP0.52
Rot. Bonds4

About 2-(cyclopropylsulfonylamino)cyclopentane-1-carbothioamide

2-(cyclopropylsulfonylamino)cyclopentane-1-carbothioamide (PubChem CID 64553686) has the molecular formula C9H16N2O2S2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(cyclopropylsulfonylamino)cyclopentane-1-carbothioamide.

Molecular Properties

Compound Name2-(cyclopropylsulfonylamino)cyclopentane-1-carbothioamide
PubChem CID64553686
Molecular FormulaC9H16N2O2S2
Molecular Weight248.37 g/mol
Exact Mass248.07
IUPAC Name2-(cyclopropylsulfonylamino)cyclopentane-1-carbothioamide
SMILESNC(=S)C1CCCC1NS(=O)(=O)C1CC1
InChIInChI=1S/C9H16N2O2S2/c10-9(14)7-2-1-3-8(7)11-15(12,13)6-4-5-6/h6-8,11H,1-5H2,(H2,10,14)
InChIKeyCMCYOCPDJUMLOV-UHFFFAOYSA-N
XLogP0.52
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
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

2-(cyclopentylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 105361615
2-(piperidin-1-ylsulfonylamino)cyclopentane-1-carbothioamide
CID 62957475
2-(2-methylsulfonylethylsulfonylamino)cyclopentane-1-carbothioamide
CID 63243310
N-[2-(hydroxymethyl)cyclopentyl]cyclopropanesulfonamide
CID 103835909
N-(2-carbamothioylcyclopentyl)formamide
CID 64991853
2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]cyclopentane-1-carbothioamide
CID 62957295
2-[(3-bromothiophen-2-yl)sulfonylamino]cyclopentane-1-carbothioamide
CID 62957127
methyl 4-[(2-carbamothioylcyclopentyl)sulfamoyl]butanoate
CID 62957123
2-[(3,4-dichlorophenyl)sulfonylamino]cyclopentane-1-carbothioamide
CID 62957301
2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]cyclopentane-1-carbothioamide
CID 107327667
2-(2-pyridin-4-ylethylsulfonylamino)cyclopentane-1-carbothioamide
CID 62956946
N-[2-(hydroxymethyl)cyclopentyl]oxane-4-sulfonamide
CID 113318663

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylsulfonylamino)cyclopentane-1-carbothioamide?
The IUPAC name of 2-(cyclopropylsulfonylamino)cyclopentane-1-carbothioamide (CID 64553686) is 2-(cyclopropylsulfonylamino)cyclopentane-1-carbothioamide.
What is the SMILES notation for 2-(cyclopropylsulfonylamino)cyclopentane-1-carbothioamide?
The canonical SMILES for 2-(cyclopropylsulfonylamino)cyclopentane-1-carbothioamide is NC(=S)C1CCCC1NS(=O)(=O)C1CC1.
What is the InChIKey of 2-(cyclopropylsulfonylamino)cyclopentane-1-carbothioamide?
The InChIKey is CMCYOCPDJUMLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S2/c10-9(14)7-2-1-3-8(7)11-15(12,13)6-4-5-6/h6-8,11H,1-5H2,(H2,10,14).
What are the key properties of 2-(cyclopropylsulfonylamino)cyclopentane-1-carbothioamide?
2-(cyclopropylsulfonylamino)cyclopentane-1-carbothioamide has a molecular weight of 248.37 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 2-(cyclopropylsulfonylamino)cyclopentane-1-carbothioamide is sourced from PubChem (CID 64553686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).