2-(ethylsulfonylamino)cyclopentane-1-carbothioamide

C8H16N2O2S2 — CID 62957308

IUPAC2-(ethylsulfonylamino)cyclopentane-1-carbothioamide
SMILESCCS(=O)(=O)NC1CCCC1C(N)=S
InChIInChI=1S/C8H16N2O2S2/c1-2-14(11,12)10-7-5-3-4-6(7)8(9)13/h6-7,10H,2-5H2,1H3,(H2,9,13)
InChIKeyJNNZIFWBZCHQCS-UHFFFAOYSA-N
MW236.36 g/mol
LogP0.38
Rot. Bonds4

About 2-(ethylsulfonylamino)cyclopentane-1-carbothioamide

2-(ethylsulfonylamino)cyclopentane-1-carbothioamide (PubChem CID 62957308) has the molecular formula C8H16N2O2S2 and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-(ethylsulfonylamino)cyclopentane-1-carbothioamide.

Molecular Properties

Compound Name2-(ethylsulfonylamino)cyclopentane-1-carbothioamide
PubChem CID62957308
Molecular FormulaC8H16N2O2S2
Molecular Weight236.36 g/mol
Exact Mass236.07
IUPAC Name2-(ethylsulfonylamino)cyclopentane-1-carbothioamide
SMILESCCS(=O)(=O)NC1CCCC1C(N)=S
InChIInChI=1S/C8H16N2O2S2/c1-2-14(11,12)10-7-5-3-4-6(7)8(9)13/h6-7,10H,2-5H2,1H3,(H2,9,13)
InChIKeyJNNZIFWBZCHQCS-UHFFFAOYSA-N
XLogP0.38
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfonylamino)cyclopentane-1-carbothioamide?
The IUPAC name of 2-(ethylsulfonylamino)cyclopentane-1-carbothioamide (CID 62957308) is 2-(ethylsulfonylamino)cyclopentane-1-carbothioamide.
What is the SMILES notation for 2-(ethylsulfonylamino)cyclopentane-1-carbothioamide?
The canonical SMILES for 2-(ethylsulfonylamino)cyclopentane-1-carbothioamide is CCS(=O)(=O)NC1CCCC1C(N)=S.
What is the InChIKey of 2-(ethylsulfonylamino)cyclopentane-1-carbothioamide?
The InChIKey is JNNZIFWBZCHQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S2/c1-2-14(11,12)10-7-5-3-4-6(7)8(9)13/h6-7,10H,2-5H2,1H3,(H2,9,13).
What are the key properties of 2-(ethylsulfonylamino)cyclopentane-1-carbothioamide?
2-(ethylsulfonylamino)cyclopentane-1-carbothioamide has a molecular weight of 236.36 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfonylamino)cyclopentane-1-carbothioamide is sourced from PubChem (CID 62957308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).