2-cyclopropyl-2-fluoro-2-(3-methylsulfonylcyclohexyl)ethanamine

C12H22FNO2S — CID 112567151

IUPAC2-cyclopropyl-2-fluoro-2-(3-methylsulfonylcyclohexyl)ethanamine
SMILESCS(=O)(=O)C1CCCC(C(F)(CN)C2CC2)C1
InChIInChI=1S/C12H22FNO2S/c1-17(15,16)11-4-2-3-10(7-11)12(13,8-14)9-5-6-9/h9-11H,2-8,14H2,1H3
InChIKeyUCSLHDXXASWRPE-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.67
Rot. Bonds4

About 2-cyclopropyl-2-fluoro-2-(3-methylsulfonylcyclohexyl)ethanamine

2-cyclopropyl-2-fluoro-2-(3-methylsulfonylcyclohexyl)ethanamine (PubChem CID 112567151) has the molecular formula C12H22FNO2S and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-cyclopropyl-2-fluoro-2-(3-methylsulfonylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-cyclopropyl-2-fluoro-2-(3-methylsulfonylcyclohexyl)ethanamine
PubChem CID112567151
Molecular FormulaC12H22FNO2S
Molecular Weight263.38 g/mol
Exact Mass263.14
IUPAC Name2-cyclopropyl-2-fluoro-2-(3-methylsulfonylcyclohexyl)ethanamine
SMILESCS(=O)(=O)C1CCCC(C(F)(CN)C2CC2)C1
InChIInChI=1S/C12H22FNO2S/c1-17(15,16)11-4-2-3-10(7-11)12(13,8-14)9-5-6-9/h9-11H,2-8,14H2,1H3
InChIKeyUCSLHDXXASWRPE-UHFFFAOYSA-N
XLogP1.67
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-fluoro-2-(3-methylsulfonylcyclohexyl)ethanamine?
The IUPAC name of 2-cyclopropyl-2-fluoro-2-(3-methylsulfonylcyclohexyl)ethanamine (CID 112567151) is 2-cyclopropyl-2-fluoro-2-(3-methylsulfonylcyclohexyl)ethanamine.
What is the SMILES notation for 2-cyclopropyl-2-fluoro-2-(3-methylsulfonylcyclohexyl)ethanamine?
The canonical SMILES for 2-cyclopropyl-2-fluoro-2-(3-methylsulfonylcyclohexyl)ethanamine is CS(=O)(=O)C1CCCC(C(F)(CN)C2CC2)C1.
What is the InChIKey of 2-cyclopropyl-2-fluoro-2-(3-methylsulfonylcyclohexyl)ethanamine?
The InChIKey is UCSLHDXXASWRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FNO2S/c1-17(15,16)11-4-2-3-10(7-11)12(13,8-14)9-5-6-9/h9-11H,2-8,14H2,1H3.
What are the key properties of 2-cyclopropyl-2-fluoro-2-(3-methylsulfonylcyclohexyl)ethanamine?
2-cyclopropyl-2-fluoro-2-(3-methylsulfonylcyclohexyl)ethanamine has a molecular weight of 263.38 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-fluoro-2-(3-methylsulfonylcyclohexyl)ethanamine is sourced from PubChem (CID 112567151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).