2-cyclopropyl-5-ethylsulfonyl-2-fluoropentan-1-amine

C10H20FNO2S — CID 112567244

IUPAC2-cyclopropyl-5-ethylsulfonyl-2-fluoropentan-1-amine
SMILESCCS(=O)(=O)CCCC(F)(CN)C1CC1
InChIInChI=1S/C10H20FNO2S/c1-2-15(13,14)7-3-6-10(11,8-12)9-4-5-9/h9H,2-8,12H2,1H3
InChIKeyAYGFBVAIBGGFDE-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.28
Rot. Bonds7

About 2-cyclopropyl-5-ethylsulfonyl-2-fluoropentan-1-amine

2-cyclopropyl-5-ethylsulfonyl-2-fluoropentan-1-amine (PubChem CID 112567244) has the molecular formula C10H20FNO2S and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-cyclopropyl-5-ethylsulfonyl-2-fluoropentan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-5-ethylsulfonyl-2-fluoropentan-1-amine
PubChem CID112567244
Molecular FormulaC10H20FNO2S
Molecular Weight237.34 g/mol
Exact Mass237.12
IUPAC Name2-cyclopropyl-5-ethylsulfonyl-2-fluoropentan-1-amine
SMILESCCS(=O)(=O)CCCC(F)(CN)C1CC1
InChIInChI=1S/C10H20FNO2S/c1-2-15(13,14)7-3-6-10(11,8-12)9-4-5-9/h9H,2-8,12H2,1H3
InChIKeyAYGFBVAIBGGFDE-UHFFFAOYSA-N
XLogP1.28
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-ethylsulfonyl-2-fluoropentan-1-amine?
The IUPAC name of 2-cyclopropyl-5-ethylsulfonyl-2-fluoropentan-1-amine (CID 112567244) is 2-cyclopropyl-5-ethylsulfonyl-2-fluoropentan-1-amine.
What is the SMILES notation for 2-cyclopropyl-5-ethylsulfonyl-2-fluoropentan-1-amine?
The canonical SMILES for 2-cyclopropyl-5-ethylsulfonyl-2-fluoropentan-1-amine is CCS(=O)(=O)CCCC(F)(CN)C1CC1.
What is the InChIKey of 2-cyclopropyl-5-ethylsulfonyl-2-fluoropentan-1-amine?
The InChIKey is AYGFBVAIBGGFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO2S/c1-2-15(13,14)7-3-6-10(11,8-12)9-4-5-9/h9H,2-8,12H2,1H3.
What are the key properties of 2-cyclopropyl-5-ethylsulfonyl-2-fluoropentan-1-amine?
2-cyclopropyl-5-ethylsulfonyl-2-fluoropentan-1-amine has a molecular weight of 237.34 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-ethylsulfonyl-2-fluoropentan-1-amine is sourced from PubChem (CID 112567244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).