5-ethylsulfonyl-3-fluoropentan-1-amine

C7H16FNO2S — CID 106735970

IUPAC5-ethylsulfonyl-3-fluoropentan-1-amine
SMILESCCS(=O)(=O)CCC(F)CCN
InChIInChI=1S/C7H16FNO2S/c1-2-12(10,11)6-4-7(8)3-5-9/h7H,2-6,9H2,1H3
InChIKeyPNZRVGKNMFWFNA-UHFFFAOYSA-N
MW197.27 g/mol
LogP0.50
Rot. Bonds6

About 5-ethylsulfonyl-3-fluoropentan-1-amine

5-ethylsulfonyl-3-fluoropentan-1-amine (PubChem CID 106735970) has the molecular formula C7H16FNO2S and a molecular weight of 197.27 g/mol. Its IUPAC name is 5-ethylsulfonyl-3-fluoropentan-1-amine.

Molecular Properties

Compound Name5-ethylsulfonyl-3-fluoropentan-1-amine
PubChem CID106735970
Molecular FormulaC7H16FNO2S
Molecular Weight197.27 g/mol
Exact Mass197.09
IUPAC Name5-ethylsulfonyl-3-fluoropentan-1-amine
SMILESCCS(=O)(=O)CCC(F)CCN
InChIInChI=1S/C7H16FNO2S/c1-2-12(10,11)6-4-7(8)3-5-9/h7H,2-6,9H2,1H3
InChIKeyPNZRVGKNMFWFNA-UHFFFAOYSA-N
XLogP0.50
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.27
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-3-fluoropentan-1-amine?
The IUPAC name of 5-ethylsulfonyl-3-fluoropentan-1-amine (CID 106735970) is 5-ethylsulfonyl-3-fluoropentan-1-amine.
What is the SMILES notation for 5-ethylsulfonyl-3-fluoropentan-1-amine?
The canonical SMILES for 5-ethylsulfonyl-3-fluoropentan-1-amine is CCS(=O)(=O)CCC(F)CCN.
What is the InChIKey of 5-ethylsulfonyl-3-fluoropentan-1-amine?
The InChIKey is PNZRVGKNMFWFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FNO2S/c1-2-12(10,11)6-4-7(8)3-5-9/h7H,2-6,9H2,1H3.
What are the key properties of 5-ethylsulfonyl-3-fluoropentan-1-amine?
5-ethylsulfonyl-3-fluoropentan-1-amine has a molecular weight of 197.27 g/mol, XLogP of 0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-3-fluoropentan-1-amine is sourced from PubChem (CID 106735970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).