3-fluoro-2-propan-2-yl-5-propylsulfonylpentan-1-amine

C11H24FNO2S — CID 107443827

IUPAC3-fluoro-2-propan-2-yl-5-propylsulfonylpentan-1-amine
SMILESCCCS(=O)(=O)CCC(F)C(CN)C(C)C
InChIInChI=1S/C11H24FNO2S/c1-4-6-16(14,15)7-5-11(12)10(8-13)9(2)3/h9-11H,4-8,13H2,1-3H3
InChIKeyIMWNGZFTSQWIBB-UHFFFAOYSA-N
MW253.38 g/mol
LogP1.77
Rot. Bonds8

About 3-fluoro-2-propan-2-yl-5-propylsulfonylpentan-1-amine

3-fluoro-2-propan-2-yl-5-propylsulfonylpentan-1-amine (PubChem CID 107443827) has the molecular formula C11H24FNO2S and a molecular weight of 253.38 g/mol. Its IUPAC name is 3-fluoro-2-propan-2-yl-5-propylsulfonylpentan-1-amine.

Molecular Properties

Compound Name3-fluoro-2-propan-2-yl-5-propylsulfonylpentan-1-amine
PubChem CID107443827
Molecular FormulaC11H24FNO2S
Molecular Weight253.38 g/mol
Exact Mass253.15
IUPAC Name3-fluoro-2-propan-2-yl-5-propylsulfonylpentan-1-amine
SMILESCCCS(=O)(=O)CCC(F)C(CN)C(C)C
InChIInChI=1S/C11H24FNO2S/c1-4-6-16(14,15)7-5-11(12)10(8-13)9(2)3/h9-11H,4-8,13H2,1-3H3
InChIKeyIMWNGZFTSQWIBB-UHFFFAOYSA-N
XLogP1.77
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.38
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-propan-2-yl-5-propylsulfonylpentan-1-amine?
The IUPAC name of 3-fluoro-2-propan-2-yl-5-propylsulfonylpentan-1-amine (CID 107443827) is 3-fluoro-2-propan-2-yl-5-propylsulfonylpentan-1-amine.
What is the SMILES notation for 3-fluoro-2-propan-2-yl-5-propylsulfonylpentan-1-amine?
The canonical SMILES for 3-fluoro-2-propan-2-yl-5-propylsulfonylpentan-1-amine is CCCS(=O)(=O)CCC(F)C(CN)C(C)C.
What is the InChIKey of 3-fluoro-2-propan-2-yl-5-propylsulfonylpentan-1-amine?
The InChIKey is IMWNGZFTSQWIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24FNO2S/c1-4-6-16(14,15)7-5-11(12)10(8-13)9(2)3/h9-11H,4-8,13H2,1-3H3.
What are the key properties of 3-fluoro-2-propan-2-yl-5-propylsulfonylpentan-1-amine?
3-fluoro-2-propan-2-yl-5-propylsulfonylpentan-1-amine has a molecular weight of 253.38 g/mol, XLogP of 1.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-propan-2-yl-5-propylsulfonylpentan-1-amine is sourced from PubChem (CID 107443827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).