4-fluoro-2-methyl-4-(3-methylsulfonylcyclohexyl)butan-2-amine

C12H24FNO2S — CID 112754004

IUPAC4-fluoro-2-methyl-4-(3-methylsulfonylcyclohexyl)butan-2-amine
SMILESCC(C)(N)CC(F)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C12H24FNO2S/c1-12(2,14)8-11(13)9-5-4-6-10(7-9)17(3,15)16/h9-11H,4-8,14H2,1-3H3
InChIKeyUFNOVIYRCPXRSM-UHFFFAOYSA-N
MW265.39 g/mol
LogP2.06
Rot. Bonds4

About 4-fluoro-2-methyl-4-(3-methylsulfonylcyclohexyl)butan-2-amine

4-fluoro-2-methyl-4-(3-methylsulfonylcyclohexyl)butan-2-amine (PubChem CID 112754004) has the molecular formula C12H24FNO2S and a molecular weight of 265.39 g/mol. Its IUPAC name is 4-fluoro-2-methyl-4-(3-methylsulfonylcyclohexyl)butan-2-amine.

Molecular Properties

Compound Name4-fluoro-2-methyl-4-(3-methylsulfonylcyclohexyl)butan-2-amine
PubChem CID112754004
Molecular FormulaC12H24FNO2S
Molecular Weight265.39 g/mol
Exact Mass265.15
IUPAC Name4-fluoro-2-methyl-4-(3-methylsulfonylcyclohexyl)butan-2-amine
SMILESCC(C)(N)CC(F)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C12H24FNO2S/c1-12(2,14)8-11(13)9-5-4-6-10(7-9)17(3,15)16/h9-11H,4-8,14H2,1-3H3
InChIKeyUFNOVIYRCPXRSM-UHFFFAOYSA-N
XLogP2.06
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.39
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-4-(3-methylsulfonylcyclohexyl)butan-2-amine?
The IUPAC name of 4-fluoro-2-methyl-4-(3-methylsulfonylcyclohexyl)butan-2-amine (CID 112754004) is 4-fluoro-2-methyl-4-(3-methylsulfonylcyclohexyl)butan-2-amine.
What is the SMILES notation for 4-fluoro-2-methyl-4-(3-methylsulfonylcyclohexyl)butan-2-amine?
The canonical SMILES for 4-fluoro-2-methyl-4-(3-methylsulfonylcyclohexyl)butan-2-amine is CC(C)(N)CC(F)C1CCCC(S(C)(=O)=O)C1.
What is the InChIKey of 4-fluoro-2-methyl-4-(3-methylsulfonylcyclohexyl)butan-2-amine?
The InChIKey is UFNOVIYRCPXRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FNO2S/c1-12(2,14)8-11(13)9-5-4-6-10(7-9)17(3,15)16/h9-11H,4-8,14H2,1-3H3.
What are the key properties of 4-fluoro-2-methyl-4-(3-methylsulfonylcyclohexyl)butan-2-amine?
4-fluoro-2-methyl-4-(3-methylsulfonylcyclohexyl)butan-2-amine has a molecular weight of 265.39 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-4-(3-methylsulfonylcyclohexyl)butan-2-amine is sourced from PubChem (CID 112754004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).