1-[(3-fluorophenyl)sulfonylamino]cyclopentane-1-carbothioamide

C12H15FN2O2S2 — CID 61123263

IUPAC1-[(3-fluorophenyl)sulfonylamino]cyclopentane-1-carbothioamide
SMILESNC(=S)C1(NS(=O)(=O)c2cccc(F)c2)CCCC1
InChIInChI=1S/C12H15FN2O2S2/c13-9-4-3-5-10(8-9)19(16,17)15-12(11(14)18)6-1-2-7-12/h3-5,8,15H,1-2,6-7H2,(H2,14,18)
InChIKeyOUCBXJHEABHCIK-UHFFFAOYSA-N
MW302.40 g/mol
LogP1.70
Rot. Bonds4

About 1-[(3-fluorophenyl)sulfonylamino]cyclopentane-1-carbothioamide

1-[(3-fluorophenyl)sulfonylamino]cyclopentane-1-carbothioamide (PubChem CID 61123263) has the molecular formula C12H15FN2O2S2 and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)sulfonylamino]cyclopentane-1-carbothioamide.

Molecular Properties

Compound Name1-[(3-fluorophenyl)sulfonylamino]cyclopentane-1-carbothioamide
PubChem CID61123263
Molecular FormulaC12H15FN2O2S2
Molecular Weight302.40 g/mol
Exact Mass302.06
IUPAC Name1-[(3-fluorophenyl)sulfonylamino]cyclopentane-1-carbothioamide
SMILESNC(=S)C1(NS(=O)(=O)c2cccc(F)c2)CCCC1
InChIInChI=1S/C12H15FN2O2S2/c13-9-4-3-5-10(8-9)19(16,17)15-12(11(14)18)6-1-2-7-12/h3-5,8,15H,1-2,6-7H2,(H2,14,18)
InChIKeyOUCBXJHEABHCIK-UHFFFAOYSA-N
XLogP1.70
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 51.70
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

1-[(3-fluorophenyl)sulfonylamino]-4-methylcyclohexane-1-carbothioamide
CID 61122276
1-[(3-fluorophenyl)sulfonylamino]cycloheptane-1-carboxylic acid
CID 43341837
1-[(3,4-difluorophenyl)sulfonylamino]cyclohexane-1-carbothioamide
CID 61123074
1-[(2,5-difluorophenyl)sulfonylamino]cyclohexane-1-carbothioamide
CID 61124069
1-[(4-fluoro-2-methylphenyl)sulfonylamino]cyclohexane-1-carbothioamide
CID 61124068
1-(pyridin-3-ylsulfonylamino)cyclohexane-1-carbothioamide
CID 61125063
N-(1-carbamothioylcycloheptyl)-3-fluorobenzamide
CID 61119189
1-(benzenesulfonamido)-4-methylcyclohexane-1-carbothioamide
CID 61124071
1-[(3-fluorophenyl)sulfonylamino]-N-(5-phenyl-2-pyridinyl)cyclohexane-1-carboxamide
CID 167967831
3-[(3-fluorophenyl)sulfonylamino]propanethioamide
CID 62666138
1-(thiophen-2-ylsulfonylamino)cyclooctane-1-carbothioamide
CID 61123756
1-(thiophen-2-ylsulfonylamino)cycloheptane-1-carbothioamide
CID 61124079

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)sulfonylamino]cyclopentane-1-carbothioamide?
The IUPAC name of 1-[(3-fluorophenyl)sulfonylamino]cyclopentane-1-carbothioamide (CID 61123263) is 1-[(3-fluorophenyl)sulfonylamino]cyclopentane-1-carbothioamide.
What is the SMILES notation for 1-[(3-fluorophenyl)sulfonylamino]cyclopentane-1-carbothioamide?
The canonical SMILES for 1-[(3-fluorophenyl)sulfonylamino]cyclopentane-1-carbothioamide is NC(=S)C1(NS(=O)(=O)c2cccc(F)c2)CCCC1.
What is the InChIKey of 1-[(3-fluorophenyl)sulfonylamino]cyclopentane-1-carbothioamide?
The InChIKey is OUCBXJHEABHCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2S2/c13-9-4-3-5-10(8-9)19(16,17)15-12(11(14)18)6-1-2-7-12/h3-5,8,15H,1-2,6-7H2,(H2,14,18).
What are the key properties of 1-[(3-fluorophenyl)sulfonylamino]cyclopentane-1-carbothioamide?
1-[(3-fluorophenyl)sulfonylamino]cyclopentane-1-carbothioamide has a molecular weight of 302.40 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)sulfonylamino]cyclopentane-1-carbothioamide is sourced from PubChem (CID 61123263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).