5-tert-butylsulfonyl-3-fluoropentan-1-amine

C9H20FNO2S — CID 106735969

IUPAC5-tert-butylsulfonyl-3-fluoropentan-1-amine
SMILESCC(C)(C)S(=O)(=O)CCC(F)CCN
InChIInChI=1S/C9H20FNO2S/c1-9(2,3)14(12,13)7-5-8(10)4-6-11/h8H,4-7,11H2,1-3H3
InChIKeyBJGSRSFMEGFEKV-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.28
Rot. Bonds5

About 5-tert-butylsulfonyl-3-fluoropentan-1-amine

5-tert-butylsulfonyl-3-fluoropentan-1-amine (PubChem CID 106735969) has the molecular formula C9H20FNO2S and a molecular weight of 225.33 g/mol. Its IUPAC name is 5-tert-butylsulfonyl-3-fluoropentan-1-amine.

Molecular Properties

Compound Name5-tert-butylsulfonyl-3-fluoropentan-1-amine
PubChem CID106735969
Molecular FormulaC9H20FNO2S
Molecular Weight225.33 g/mol
Exact Mass225.12
IUPAC Name5-tert-butylsulfonyl-3-fluoropentan-1-amine
SMILESCC(C)(C)S(=O)(=O)CCC(F)CCN
InChIInChI=1S/C9H20FNO2S/c1-9(2,3)14(12,13)7-5-8(10)4-6-11/h8H,4-7,11H2,1-3H3
InChIKeyBJGSRSFMEGFEKV-UHFFFAOYSA-N
XLogP1.28
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butylsulfonyl-3-fluoropentan-1-amine?
The IUPAC name of 5-tert-butylsulfonyl-3-fluoropentan-1-amine (CID 106735969) is 5-tert-butylsulfonyl-3-fluoropentan-1-amine.
What is the SMILES notation for 5-tert-butylsulfonyl-3-fluoropentan-1-amine?
The canonical SMILES for 5-tert-butylsulfonyl-3-fluoropentan-1-amine is CC(C)(C)S(=O)(=O)CCC(F)CCN.
What is the InChIKey of 5-tert-butylsulfonyl-3-fluoropentan-1-amine?
The InChIKey is BJGSRSFMEGFEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20FNO2S/c1-9(2,3)14(12,13)7-5-8(10)4-6-11/h8H,4-7,11H2,1-3H3.
What are the key properties of 5-tert-butylsulfonyl-3-fluoropentan-1-amine?
5-tert-butylsulfonyl-3-fluoropentan-1-amine has a molecular weight of 225.33 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butylsulfonyl-3-fluoropentan-1-amine is sourced from PubChem (CID 106735969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).