3-cyclopentylsulfonyl-4,4,4-trifluorobutan-1-amine

C9H16F3NO2S — CID 64698077

IUPAC3-cyclopentylsulfonyl-4,4,4-trifluorobutan-1-amine
SMILESNCCC(C(F)(F)F)S(=O)(=O)C1CCCC1
InChIInChI=1S/C9H16F3NO2S/c10-9(11,12)8(5-6-13)16(14,15)7-3-1-2-4-7/h7-8H,1-6,13H2
InChIKeyQHMXQPFTZJEEPA-UHFFFAOYSA-N
MW259.29 g/mol
LogP1.62
Rot. Bonds4

About 3-cyclopentylsulfonyl-4,4,4-trifluorobutan-1-amine

3-cyclopentylsulfonyl-4,4,4-trifluorobutan-1-amine (PubChem CID 64698077) has the molecular formula C9H16F3NO2S and a molecular weight of 259.29 g/mol. Its IUPAC name is 3-cyclopentylsulfonyl-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound Name3-cyclopentylsulfonyl-4,4,4-trifluorobutan-1-amine
PubChem CID64698077
Molecular FormulaC9H16F3NO2S
Molecular Weight259.29 g/mol
Exact Mass259.09
IUPAC Name3-cyclopentylsulfonyl-4,4,4-trifluorobutan-1-amine
SMILESNCCC(C(F)(F)F)S(=O)(=O)C1CCCC1
InChIInChI=1S/C9H16F3NO2S/c10-9(11,12)8(5-6-13)16(14,15)7-3-1-2-4-7/h7-8H,1-6,13H2
InChIKeyQHMXQPFTZJEEPA-UHFFFAOYSA-N
XLogP1.62
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylsulfonyl-4,4,4-trifluorobutan-1-amine?
The IUPAC name of 3-cyclopentylsulfonyl-4,4,4-trifluorobutan-1-amine (CID 64698077) is 3-cyclopentylsulfonyl-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for 3-cyclopentylsulfonyl-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for 3-cyclopentylsulfonyl-4,4,4-trifluorobutan-1-amine is NCCC(C(F)(F)F)S(=O)(=O)C1CCCC1.
What is the InChIKey of 3-cyclopentylsulfonyl-4,4,4-trifluorobutan-1-amine?
The InChIKey is QHMXQPFTZJEEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2S/c10-9(11,12)8(5-6-13)16(14,15)7-3-1-2-4-7/h7-8H,1-6,13H2.
What are the key properties of 3-cyclopentylsulfonyl-4,4,4-trifluorobutan-1-amine?
3-cyclopentylsulfonyl-4,4,4-trifluorobutan-1-amine has a molecular weight of 259.29 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylsulfonyl-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 64698077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).