2-(cyclohexylsulfonylamino)cyclopentane-1-carbothioamide

C12H22N2O2S2 — CID 55152910

IUPAC2-(cyclohexylsulfonylamino)cyclopentane-1-carbothioamide
SMILESNC(=S)C1CCCC1NS(=O)(=O)C1CCCCC1
InChIInChI=1S/C12H22N2O2S2/c13-12(17)10-7-4-8-11(10)14-18(15,16)9-5-2-1-3-6-9/h9-11,14H,1-8H2,(H2,13,17)
InChIKeyYTBURAVENOBIQA-UHFFFAOYSA-N
MW290.45 g/mol
LogP1.69
Rot. Bonds4

About 2-(cyclohexylsulfonylamino)cyclopentane-1-carbothioamide

2-(cyclohexylsulfonylamino)cyclopentane-1-carbothioamide (PubChem CID 55152910) has the molecular formula C12H22N2O2S2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-(cyclohexylsulfonylamino)cyclopentane-1-carbothioamide.

Molecular Properties

Compound Name2-(cyclohexylsulfonylamino)cyclopentane-1-carbothioamide
PubChem CID55152910
Molecular FormulaC12H22N2O2S2
Molecular Weight290.45 g/mol
Exact Mass290.11
IUPAC Name2-(cyclohexylsulfonylamino)cyclopentane-1-carbothioamide
SMILESNC(=S)C1CCCC1NS(=O)(=O)C1CCCCC1
InChIInChI=1S/C12H22N2O2S2/c13-12(17)10-7-4-8-11(10)14-18(15,16)9-5-2-1-3-6-9/h9-11,14H,1-8H2,(H2,13,17)
InChIKeyYTBURAVENOBIQA-UHFFFAOYSA-N
XLogP1.69
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 51.69
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-(cyclohexylsulfonylamino)cyclopentane-1-carbothioamide?
The IUPAC name of 2-(cyclohexylsulfonylamino)cyclopentane-1-carbothioamide (CID 55152910) is 2-(cyclohexylsulfonylamino)cyclopentane-1-carbothioamide.
What is the SMILES notation for 2-(cyclohexylsulfonylamino)cyclopentane-1-carbothioamide?
The canonical SMILES for 2-(cyclohexylsulfonylamino)cyclopentane-1-carbothioamide is NC(=S)C1CCCC1NS(=O)(=O)C1CCCCC1.
What is the InChIKey of 2-(cyclohexylsulfonylamino)cyclopentane-1-carbothioamide?
The InChIKey is YTBURAVENOBIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S2/c13-12(17)10-7-4-8-11(10)14-18(15,16)9-5-2-1-3-6-9/h9-11,14H,1-8H2,(H2,13,17).
What are the key properties of 2-(cyclohexylsulfonylamino)cyclopentane-1-carbothioamide?
2-(cyclohexylsulfonylamino)cyclopentane-1-carbothioamide has a molecular weight of 290.45 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylsulfonylamino)cyclopentane-1-carbothioamide is sourced from PubChem (CID 55152910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).