N-(1-adamantyl)-2,2-difluoro-2-sulfamoylacetamide

C12H18F2N2O3S — CID 129295001

IUPACN-(1-adamantyl)-2,2-difluoro-2-sulfamoylacetamide
SMILESNS(=O)(=O)C(F)(F)C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H18F2N2O3S/c13-12(14,20(15,18)19)10(17)16-11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H,16,17)(H2,15,18,19)
InChIKeyYOMQPPPMQMIIFC-UHFFFAOYSA-N
MW308.35 g/mol
LogP0.95
Rot. Bonds3

About N-(1-adamantyl)-2,2-difluoro-2-sulfamoylacetamide

N-(1-adamantyl)-2,2-difluoro-2-sulfamoylacetamide (PubChem CID 129295001) has the molecular formula C12H18F2N2O3S and a molecular weight of 308.35 g/mol. Its IUPAC name is N-(1-adamantyl)-2,2-difluoro-2-sulfamoylacetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2,2-difluoro-2-sulfamoylacetamide
PubChem CID129295001
Molecular FormulaC12H18F2N2O3S
Molecular Weight308.35 g/mol
Exact Mass308.10
IUPAC NameN-(1-adamantyl)-2,2-difluoro-2-sulfamoylacetamide
SMILESNS(=O)(=O)C(F)(F)C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H18F2N2O3S/c13-12(14,20(15,18)19)10(17)16-11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H,16,17)(H2,15,18,19)
InChIKeyYOMQPPPMQMIIFC-UHFFFAOYSA-N
XLogP0.95
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-adamantyl)-2,2,3,3,3-pentafluoropropanamide
CID 102055809
N-(1-adamantyl)-2-amino-2-ethylbutanamide
CID 79810373
2-(1-adamantylcarbamoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid
CID 129070515
N-(1-adamantyl)-2-methoxy-2-methylpropanamide
CID 12839089
4-(1-adamantylcarbamoyloxy)-1,1-difluorobutane-1-sulfonic acid
CID 59602647
2-(1-adamantylcarbamoyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonic acid
CID 134383328
10-(1-adamantylcarbamoyloxy)-1,1-difluorodecane-1-sulfonic acid
CID 59602623
[1-(1-adamantylamino)-2-methyl-1-oxopropan-2-yl] 2,2-dimethylpropanoate
CID 101333972
11-(1-adamantylcarbamoyloxy)-1,1-difluoroundecane-1-sulfonate
CID 59602613
1-N,4-N-bis(1-adamantyl)bicyclo[2.2.2]octane-1,4-dicarboxamide
CID 171722423
1-(1-adamantyl)-3-(dimethyl-λ4-sulfanylidene)urea
CID 176801954
N-(1-adamantyl)-2,2-diphenylpropanamide
CID 10737199

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2,2-difluoro-2-sulfamoylacetamide?
The IUPAC name of N-(1-adamantyl)-2,2-difluoro-2-sulfamoylacetamide (CID 129295001) is N-(1-adamantyl)-2,2-difluoro-2-sulfamoylacetamide.
What is the SMILES notation for N-(1-adamantyl)-2,2-difluoro-2-sulfamoylacetamide?
The canonical SMILES for N-(1-adamantyl)-2,2-difluoro-2-sulfamoylacetamide is NS(=O)(=O)C(F)(F)C(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2,2-difluoro-2-sulfamoylacetamide?
The InChIKey is YOMQPPPMQMIIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O3S/c13-12(14,20(15,18)19)10(17)16-11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H,16,17)(H2,15,18,19).
What are the key properties of N-(1-adamantyl)-2,2-difluoro-2-sulfamoylacetamide?
N-(1-adamantyl)-2,2-difluoro-2-sulfamoylacetamide has a molecular weight of 308.35 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2,2-difluoro-2-sulfamoylacetamide is sourced from PubChem (CID 129295001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).