1-(ethylsulfamoylamino)cyclopentane-1-carbothioamide

C8H17N3O2S2 — CID 114808136

IUPAC1-(ethylsulfamoylamino)cyclopentane-1-carbothioamide
SMILESCCNS(=O)(=O)NC1(C(N)=S)CCCC1
InChIInChI=1S/C8H17N3O2S2/c1-2-10-15(12,13)11-8(7(9)14)5-3-4-6-8/h10-11H,2-6H2,1H3,(H2,9,14)
InChIKeyCHRJOTCLBHYAHH-UHFFFAOYSA-N
MW251.38 g/mol
LogP0.03
Rot. Bonds5

About 1-(ethylsulfamoylamino)cyclopentane-1-carbothioamide

1-(ethylsulfamoylamino)cyclopentane-1-carbothioamide (PubChem CID 114808136) has the molecular formula C8H17N3O2S2 and a molecular weight of 251.38 g/mol. Its IUPAC name is 1-(ethylsulfamoylamino)cyclopentane-1-carbothioamide.

Molecular Properties

Compound Name1-(ethylsulfamoylamino)cyclopentane-1-carbothioamide
PubChem CID114808136
Molecular FormulaC8H17N3O2S2
Molecular Weight251.38 g/mol
Exact Mass251.08
IUPAC Name1-(ethylsulfamoylamino)cyclopentane-1-carbothioamide
SMILESCCNS(=O)(=O)NC1(C(N)=S)CCCC1
InChIInChI=1S/C8H17N3O2S2/c1-2-10-15(12,13)11-8(7(9)14)5-3-4-6-8/h10-11H,2-6H2,1H3,(H2,9,14)
InChIKeyCHRJOTCLBHYAHH-UHFFFAOYSA-N
XLogP0.03
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 50.03
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-(Aminomethyl)-1-(dimethylsulfamoylamino)cyclopentane
CID 28940502
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
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-(Propylsulfamoylamino)cycloheptane-1-carbothioamide
CID 113637074
1-(Ethylsulfamoylamino)cyclooctane-1-carbothioamide
CID 113637082
2-(2-Methylpropylsulfamoylamino)cyclopentane-1-carbothioamide
CID 113638064

Frequently Asked Questions

What is the IUPAC name of 1-(ethylsulfamoylamino)cyclopentane-1-carbothioamide?
The IUPAC name of 1-(ethylsulfamoylamino)cyclopentane-1-carbothioamide (CID 114808136) is 1-(ethylsulfamoylamino)cyclopentane-1-carbothioamide.
What is the SMILES notation for 1-(ethylsulfamoylamino)cyclopentane-1-carbothioamide?
The canonical SMILES for 1-(ethylsulfamoylamino)cyclopentane-1-carbothioamide is CCNS(=O)(=O)NC1(C(N)=S)CCCC1.
What is the InChIKey of 1-(ethylsulfamoylamino)cyclopentane-1-carbothioamide?
The InChIKey is CHRJOTCLBHYAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2S2/c1-2-10-15(12,13)11-8(7(9)14)5-3-4-6-8/h10-11H,2-6H2,1H3,(H2,9,14).
What are the key properties of 1-(ethylsulfamoylamino)cyclopentane-1-carbothioamide?
1-(ethylsulfamoylamino)cyclopentane-1-carbothioamide has a molecular weight of 251.38 g/mol, XLogP of 0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylsulfamoylamino)cyclopentane-1-carbothioamide is sourced from PubChem (CID 114808136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).