2-cyclohexyl-2-(difluoromethylsulfonylamino)ethanethioamide

C9H16F2N2O2S2 — CID 61122303

IUPAC2-cyclohexyl-2-(difluoromethylsulfonylamino)ethanethioamide
SMILESNC(=S)C(NS(=O)(=O)C(F)F)C1CCCCC1
InChIInChI=1S/C9H16F2N2O2S2/c10-9(11)17(14,15)13-7(8(12)16)6-4-2-1-3-5-6/h6-7,9,13H,1-5H2,(H2,12,16)
InChIKeyQBPPWIDYXSUUNK-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.36
Rot. Bonds5

About 2-cyclohexyl-2-(difluoromethylsulfonylamino)ethanethioamide

2-cyclohexyl-2-(difluoromethylsulfonylamino)ethanethioamide (PubChem CID 61122303) has the molecular formula C9H16F2N2O2S2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-cyclohexyl-2-(difluoromethylsulfonylamino)ethanethioamide.

Molecular Properties

Compound Name2-cyclohexyl-2-(difluoromethylsulfonylamino)ethanethioamide
PubChem CID61122303
Molecular FormulaC9H16F2N2O2S2
Molecular Weight286.37 g/mol
Exact Mass286.06
IUPAC Name2-cyclohexyl-2-(difluoromethylsulfonylamino)ethanethioamide
SMILESNC(=S)C(NS(=O)(=O)C(F)F)C1CCCCC1
InChIInChI=1S/C9H16F2N2O2S2/c10-9(11)17(14,15)13-7(8(12)16)6-4-2-1-3-5-6/h6-7,9,13H,1-5H2,(H2,12,16)
InChIKeyQBPPWIDYXSUUNK-UHFFFAOYSA-N
XLogP1.36
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.36
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

N-[4-(aminomethyl)cyclohexyl]-2,2,2-trifluoroethanesulfonamide
CID 132113259
N-(1-cyclohexylethyl)-1,1,1-trifluoromethanesulfonamide
CID 146718329
N-[4-(2-aminoethyl)cyclohexyl]-2,2,2-trifluoroethanesulfonamide
CID 155399157
N-[1-(aminomethyl)cyclohexyl]-1,1-difluoromethanesulfonamide
CID 28940488
N-[(1-aminocyclohexyl)methyl]-1,1-difluoromethanesulfonamide
CID 43598224
1-(Difluoromethylsulfonylamino)cyclohexane-1-carbothioamide
CID 61122077
N-(2-amino-1-cyclohexylethyl)-1,1-difluoromethanesulfonamide
CID 61124961
N-[(2-aminocyclohexyl)methyl]-1,1-difluoromethanesulfonamide
CID 64929044
N-[2-(aminomethyl)cyclohexyl]-1,1-difluoromethanesulfonamide
CID 65849865
2-Cyclohexyl-2-(4,4,4-trifluorobutylsulfonylamino)ethanethioamide
CID 83048164
N-(2-amino-1-cyclohexylethyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83067865
N-(2-amino-1-cyclohexylethyl)-3-fluoropropane-1-sulfonamide
CID 86780702

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(difluoromethylsulfonylamino)ethanethioamide?
The IUPAC name of 2-cyclohexyl-2-(difluoromethylsulfonylamino)ethanethioamide (CID 61122303) is 2-cyclohexyl-2-(difluoromethylsulfonylamino)ethanethioamide.
What is the SMILES notation for 2-cyclohexyl-2-(difluoromethylsulfonylamino)ethanethioamide?
The canonical SMILES for 2-cyclohexyl-2-(difluoromethylsulfonylamino)ethanethioamide is NC(=S)C(NS(=O)(=O)C(F)F)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-(difluoromethylsulfonylamino)ethanethioamide?
The InChIKey is QBPPWIDYXSUUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O2S2/c10-9(11)17(14,15)13-7(8(12)16)6-4-2-1-3-5-6/h6-7,9,13H,1-5H2,(H2,12,16).
What are the key properties of 2-cyclohexyl-2-(difluoromethylsulfonylamino)ethanethioamide?
2-cyclohexyl-2-(difluoromethylsulfonylamino)ethanethioamide has a molecular weight of 286.37 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(difluoromethylsulfonylamino)ethanethioamide is sourced from PubChem (CID 61122303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).