1-(propan-2-ylsulfamoylamino)cyclopentane-1-carbothioamide

C9H19N3O2S2 — CID 114808139

IUPAC1-(propan-2-ylsulfamoylamino)cyclopentane-1-carbothioamide
SMILESCC(C)NS(=O)(=O)NC1(C(N)=S)CCCC1
InChIInChI=1S/C9H19N3O2S2/c1-7(2)11-16(13,14)12-9(8(10)15)5-3-4-6-9/h7,11-12H,3-6H2,1-2H3,(H2,10,15)
InChIKeyYYRQZFKMDMGTBP-UHFFFAOYSA-N
MW265.40 g/mol
LogP0.42
Rot. Bonds5

About 1-(propan-2-ylsulfamoylamino)cyclopentane-1-carbothioamide

1-(propan-2-ylsulfamoylamino)cyclopentane-1-carbothioamide (PubChem CID 114808139) has the molecular formula C9H19N3O2S2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(propan-2-ylsulfamoylamino)cyclopentane-1-carbothioamide.

Molecular Properties

Compound Name1-(propan-2-ylsulfamoylamino)cyclopentane-1-carbothioamide
PubChem CID114808139
Molecular FormulaC9H19N3O2S2
Molecular Weight265.40 g/mol
Exact Mass265.09
IUPAC Name1-(propan-2-ylsulfamoylamino)cyclopentane-1-carbothioamide
SMILESCC(C)NS(=O)(=O)NC1(C(N)=S)CCCC1
InChIInChI=1S/C9H19N3O2S2/c1-7(2)11-16(13,14)12-9(8(10)15)5-3-4-6-9/h7,11-12H,3-6H2,1-2H3,(H2,10,15)
InChIKeyYYRQZFKMDMGTBP-UHFFFAOYSA-N
XLogP0.42
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(2,2,2-Trifluoroethylsulfamoylamino)cyclopentane-1-carbothioamide
CID 114808135
1-[[Methyl(propan-2-yl)sulfamoyl]amino]cyclopentane-1-carbothioamide
CID 54947200
1-(Dimethylsulfamoylamino)cyclopentane-1-carbothioamide
CID 61122660
1-(Diethylsulfamoylamino)cyclopentane-1-carbothioamide
CID 61124459
1-(Aminomethyl)-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclopentane
CID 61455907
2-[[Methyl(propan-2-yl)sulfamoyl]amino]cyclopentane-1-carbothioamide
CID 62956960
2-(Dimethylsulfamoylamino)cyclopentane-1-carbothioamide
CID 62957794
N-[1-(aminomethyl)cyclopentyl]-2-methylpropane-2-sulfonamide
CID 63687829
1-(Tert-butylsulfonylamino)cyclopentane-1-carbothioamide
CID 63689537
1-(Tert-butylsulfamoylamino)cyclopentane-1-carbothioamide
CID 113637070
1-(Propan-2-ylsulfamoylamino)cyclohexane-1-carbothioamide
CID 113637071
1-(Propan-2-ylsulfamoylamino)cycloheptane-1-carbothioamide
CID 113637075

Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-ylsulfamoylamino)cyclopentane-1-carbothioamide?
The IUPAC name of 1-(propan-2-ylsulfamoylamino)cyclopentane-1-carbothioamide (CID 114808139) is 1-(propan-2-ylsulfamoylamino)cyclopentane-1-carbothioamide.
What is the SMILES notation for 1-(propan-2-ylsulfamoylamino)cyclopentane-1-carbothioamide?
The canonical SMILES for 1-(propan-2-ylsulfamoylamino)cyclopentane-1-carbothioamide is CC(C)NS(=O)(=O)NC1(C(N)=S)CCCC1.
What is the InChIKey of 1-(propan-2-ylsulfamoylamino)cyclopentane-1-carbothioamide?
The InChIKey is YYRQZFKMDMGTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2S2/c1-7(2)11-16(13,14)12-9(8(10)15)5-3-4-6-9/h7,11-12H,3-6H2,1-2H3,(H2,10,15).
What are the key properties of 1-(propan-2-ylsulfamoylamino)cyclopentane-1-carbothioamide?
1-(propan-2-ylsulfamoylamino)cyclopentane-1-carbothioamide has a molecular weight of 265.40 g/mol, XLogP of 0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylsulfamoylamino)cyclopentane-1-carbothioamide is sourced from PubChem (CID 114808139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).