3-fluoro-N,N-dimethylpropane-1-sulfonamide

C5H12FNO2S — CID 126990220

IUPAC3-fluoro-N,N-dimethylpropane-1-sulfonamide
SMILESCN(C)S(=O)(=O)CCCF
InChIInChI=1S/C5H12FNO2S/c1-7(2)10(8,9)5-3-4-6/h3-5H2,1-2H3
InChIKeyQUNZDYLGILVPEW-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.24
Rot. Bonds4

About 3-fluoro-N,N-dimethylpropane-1-sulfonamide

3-fluoro-N,N-dimethylpropane-1-sulfonamide (PubChem CID 126990220) has the molecular formula C5H12FNO2S and a molecular weight of 169.22 g/mol. Its IUPAC name is 3-fluoro-N,N-dimethylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-fluoro-N,N-dimethylpropane-1-sulfonamide
PubChem CID126990220
Molecular FormulaC5H12FNO2S
Molecular Weight169.22 g/mol
Exact Mass169.06
IUPAC Name3-fluoro-N,N-dimethylpropane-1-sulfonamide
SMILESCN(C)S(=O)(=O)CCCF
InChIInChI=1S/C5H12FNO2S/c1-7(2)10(8,9)5-3-4-6/h3-5H2,1-2H3
InChIKeyQUNZDYLGILVPEW-UHFFFAOYSA-N
XLogP0.24
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N,N-dimethylpropane-1-sulfonamide?
The IUPAC name of 3-fluoro-N,N-dimethylpropane-1-sulfonamide (CID 126990220) is 3-fluoro-N,N-dimethylpropane-1-sulfonamide.
What is the SMILES notation for 3-fluoro-N,N-dimethylpropane-1-sulfonamide?
The canonical SMILES for 3-fluoro-N,N-dimethylpropane-1-sulfonamide is CN(C)S(=O)(=O)CCCF.
What is the InChIKey of 3-fluoro-N,N-dimethylpropane-1-sulfonamide?
The InChIKey is QUNZDYLGILVPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FNO2S/c1-7(2)10(8,9)5-3-4-6/h3-5H2,1-2H3.
What are the key properties of 3-fluoro-N,N-dimethylpropane-1-sulfonamide?
3-fluoro-N,N-dimethylpropane-1-sulfonamide has a molecular weight of 169.22 g/mol, XLogP of 0.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N,N-dimethylpropane-1-sulfonamide is sourced from PubChem (CID 126990220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).