1-fluoro-1-[(sulfamoylamino)methyl]cycloheptane

C8H17FN2O2S — CID 157365776

IUPAC1-fluoro-1-[(sulfamoylamino)methyl]cycloheptane
SMILESNS(=O)(=O)NCC1(F)CCCCCC1
InChIInChI=1S/C8H17FN2O2S/c9-8(7-11-14(10,12)13)5-3-1-2-4-6-8/h11H,1-7H2,(H2,10,12,13)
InChIKeyGFHGFRKFHZWAMZ-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.84
Rot. Bonds3

About 1-fluoro-1-[(sulfamoylamino)methyl]cycloheptane

1-fluoro-1-[(sulfamoylamino)methyl]cycloheptane (PubChem CID 157365776) has the molecular formula C8H17FN2O2S and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-fluoro-1-[(sulfamoylamino)methyl]cycloheptane.

Molecular Properties

Compound Name1-fluoro-1-[(sulfamoylamino)methyl]cycloheptane
PubChem CID157365776
Molecular FormulaC8H17FN2O2S
Molecular Weight224.30 g/mol
Exact Mass224.10
IUPAC Name1-fluoro-1-[(sulfamoylamino)methyl]cycloheptane
SMILESNS(=O)(=O)NCC1(F)CCCCCC1
InChIInChI=1S/C8H17FN2O2S/c9-8(7-11-14(10,12)13)5-3-1-2-4-6-8/h11H,1-7H2,(H2,10,12,13)
InChIKeyGFHGFRKFHZWAMZ-UHFFFAOYSA-N
XLogP0.84
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cycloheptan-1-amine
CID 114803358
1-[(2,2,2-Trifluoroethylsulfamoylamino)methyl]cycloheptan-1-amine
CID 114810377
1-[(2,2,2-Trifluoroethylsulfamoylamino)methyl]cycloheptan-1-amine;hydrochloride
CID 121673042
(Sulfinatoamino)methylcycloheptane
CID 69518278
2-(Sulfinatoamino)ethylcycloheptane
CID 69519223
(Sulfamoylamino)methylcycloheptane;hydrochloride
CID 157647084
2-(Sulfamoylamino)ethylcycloheptane
CID 157668382
1-(Aminomethyl)-1-(sulfamoylamino)cycloheptane
CID 28940674
1-Amino-1-[(sulfamoylamino)methyl]cycloheptane
CID 114959306
(Sulfamoylamino)methylcycloheptane
CID 130845978

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1-[(sulfamoylamino)methyl]cycloheptane?
The IUPAC name of 1-fluoro-1-[(sulfamoylamino)methyl]cycloheptane (CID 157365776) is 1-fluoro-1-[(sulfamoylamino)methyl]cycloheptane.
What is the SMILES notation for 1-fluoro-1-[(sulfamoylamino)methyl]cycloheptane?
The canonical SMILES for 1-fluoro-1-[(sulfamoylamino)methyl]cycloheptane is NS(=O)(=O)NCC1(F)CCCCCC1.
What is the InChIKey of 1-fluoro-1-[(sulfamoylamino)methyl]cycloheptane?
The InChIKey is GFHGFRKFHZWAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FN2O2S/c9-8(7-11-14(10,12)13)5-3-1-2-4-6-8/h11H,1-7H2,(H2,10,12,13).
What are the key properties of 1-fluoro-1-[(sulfamoylamino)methyl]cycloheptane?
1-fluoro-1-[(sulfamoylamino)methyl]cycloheptane has a molecular weight of 224.30 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-[(sulfamoylamino)methyl]cycloheptane is sourced from PubChem (CID 157365776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).