2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]cyclopentane-1-carbothioamide

C14H19FN2O2S2 — CID 107327667

IUPAC2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]cyclopentane-1-carbothioamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)NC1CCCC1C(N)=S
InChIInChI=1S/C14H19FN2O2S2/c1-8-6-10(15)7-9(2)13(8)21(18,19)17-12-5-3-4-11(12)14(16)20/h6-7,11-12,17H,3-5H2,1-2H3,(H2,16,20)
InChIKeyGUJAOTFTBSQWAV-UHFFFAOYSA-N
MW330.45 g/mol
LogP2.18
Rot. Bonds4

About 2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]cyclopentane-1-carbothioamide

2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]cyclopentane-1-carbothioamide (PubChem CID 107327667) has the molecular formula C14H19FN2O2S2 and a molecular weight of 330.45 g/mol. Its IUPAC name is 2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]cyclopentane-1-carbothioamide.

Molecular Properties

Compound Name2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]cyclopentane-1-carbothioamide
PubChem CID107327667
Molecular FormulaC14H19FN2O2S2
Molecular Weight330.45 g/mol
Exact Mass330.09
IUPAC Name2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]cyclopentane-1-carbothioamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)NC1CCCC1C(N)=S
InChIInChI=1S/C14H19FN2O2S2/c1-8-6-10(15)7-9(2)13(8)21(18,19)17-12-5-3-4-11(12)14(16)20/h6-7,11-12,17H,3-5H2,1-2H3,(H2,16,20)
InChIKeyGUJAOTFTBSQWAV-UHFFFAOYSA-N
XLogP2.18
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.18
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

2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]cyclopentane-1-carbothioamide
CID 62957295
N-(2-chlorocyclohexyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107329314
N-cycloheptyl-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326676
2-[(5-fluoro-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxamide
CID 71871357
2-[(3,4-dichlorophenyl)sulfonylamino]cyclopentane-1-carbothioamide
CID 62957301
2-[(5-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide
CID 76978973
N-(2,6-dimethylpiperidin-3-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107327615
N-[2-(aminomethyl)cyclopentyl]-2,4,6-trimethylbenzenesulfonamide;hydrochloride
CID 119985791
2-(cyclopropylsulfonylamino)cyclopentane-1-carbothioamide
CID 64553686
2-[(3-bromothiophen-2-yl)sulfonylamino]cyclopentane-1-carbothioamide
CID 62957127
2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 64817397
N-[(1S,2S)-2-hydroxycyclohexyl]-2,4,6-trimethylbenzenesulfonamide
CID 104953218

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]cyclopentane-1-carbothioamide?
The IUPAC name of 2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]cyclopentane-1-carbothioamide (CID 107327667) is 2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]cyclopentane-1-carbothioamide.
What is the SMILES notation for 2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]cyclopentane-1-carbothioamide?
The canonical SMILES for 2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]cyclopentane-1-carbothioamide is Cc1cc(F)cc(C)c1S(=O)(=O)NC1CCCC1C(N)=S.
What is the InChIKey of 2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]cyclopentane-1-carbothioamide?
The InChIKey is GUJAOTFTBSQWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2S2/c1-8-6-10(15)7-9(2)13(8)21(18,19)17-12-5-3-4-11(12)14(16)20/h6-7,11-12,17H,3-5H2,1-2H3,(H2,16,20).
What are the key properties of 2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]cyclopentane-1-carbothioamide?
2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]cyclopentane-1-carbothioamide has a molecular weight of 330.45 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]cyclopentane-1-carbothioamide is sourced from PubChem (CID 107327667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).