N-(1-fluoro-2,2-dimethylpropyl)cyclopropanesulfonamide

C8H16FNO2S — CID 70978636

IUPACN-(1-fluoro-2,2-dimethylpropyl)cyclopropanesulfonamide
SMILESCC(C)(C)C(F)NS(=O)(=O)C1CC1
InChIInChI=1S/C8H16FNO2S/c1-8(2,3)7(9)10-13(11,12)6-4-5-6/h6-7,10H,4-5H2,1-3H3
InChIKeyJBBMIZSFTYZCSR-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.41
Rot. Bonds3

About N-(1-fluoro-2,2-dimethylpropyl)cyclopropanesulfonamide

N-(1-fluoro-2,2-dimethylpropyl)cyclopropanesulfonamide (PubChem CID 70978636) has the molecular formula C8H16FNO2S and a molecular weight of 209.29 g/mol. Its IUPAC name is N-(1-fluoro-2,2-dimethylpropyl)cyclopropanesulfonamide.

Molecular Properties

Compound NameN-(1-fluoro-2,2-dimethylpropyl)cyclopropanesulfonamide
PubChem CID70978636
Molecular FormulaC8H16FNO2S
Molecular Weight209.29 g/mol
Exact Mass209.09
IUPAC NameN-(1-fluoro-2,2-dimethylpropyl)cyclopropanesulfonamide
SMILESCC(C)(C)C(F)NS(=O)(=O)C1CC1
InChIInChI=1S/C8H16FNO2S/c1-8(2,3)7(9)10-13(11,12)6-4-5-6/h6-7,10H,4-5H2,1-3H3
InChIKeyJBBMIZSFTYZCSR-UHFFFAOYSA-N
XLogP1.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-fluoro-2,2-dimethylpropyl)cyclopropanesulfonamide?
The IUPAC name of N-(1-fluoro-2,2-dimethylpropyl)cyclopropanesulfonamide (CID 70978636) is N-(1-fluoro-2,2-dimethylpropyl)cyclopropanesulfonamide.
What is the SMILES notation for N-(1-fluoro-2,2-dimethylpropyl)cyclopropanesulfonamide?
The canonical SMILES for N-(1-fluoro-2,2-dimethylpropyl)cyclopropanesulfonamide is CC(C)(C)C(F)NS(=O)(=O)C1CC1.
What is the InChIKey of N-(1-fluoro-2,2-dimethylpropyl)cyclopropanesulfonamide?
The InChIKey is JBBMIZSFTYZCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2S/c1-8(2,3)7(9)10-13(11,12)6-4-5-6/h6-7,10H,4-5H2,1-3H3.
What are the key properties of N-(1-fluoro-2,2-dimethylpropyl)cyclopropanesulfonamide?
N-(1-fluoro-2,2-dimethylpropyl)cyclopropanesulfonamide has a molecular weight of 209.29 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluoro-2,2-dimethylpropyl)cyclopropanesulfonamide is sourced from PubChem (CID 70978636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).