3-(fluoromethylsulfonyl)cyclohexan-1-amine

C7H14FNO2S — CID 84720542

IUPAC3-(fluoromethylsulfonyl)cyclohexan-1-amine
SMILESNC1CCCC(S(=O)(=O)CF)C1
InChIInChI=1S/C7H14FNO2S/c8-5-12(10,11)7-3-1-2-6(9)4-7/h6-7H,1-5,9H2
InChIKeySSBSPTMQCHDXBX-UHFFFAOYSA-N
MW195.26 g/mol
LogP0.60
Rot. Bonds2

About 3-(fluoromethylsulfonyl)cyclohexan-1-amine

3-(fluoromethylsulfonyl)cyclohexan-1-amine (PubChem CID 84720542) has the molecular formula C7H14FNO2S and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-(fluoromethylsulfonyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-(fluoromethylsulfonyl)cyclohexan-1-amine
PubChem CID84720542
Molecular FormulaC7H14FNO2S
Molecular Weight195.26 g/mol
Exact Mass195.07
IUPAC Name3-(fluoromethylsulfonyl)cyclohexan-1-amine
SMILESNC1CCCC(S(=O)(=O)CF)C1
InChIInChI=1S/C7H14FNO2S/c8-5-12(10,11)7-3-1-2-6(9)4-7/h6-7H,1-5,9H2
InChIKeySSBSPTMQCHDXBX-UHFFFAOYSA-N
XLogP0.60
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(fluoromethylsulfonyl)cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethylsulfonyl)cyclohexan-1-amine?
The IUPAC name of 3-(fluoromethylsulfonyl)cyclohexan-1-amine (CID 84720542) is 3-(fluoromethylsulfonyl)cyclohexan-1-amine.
What is the SMILES notation for 3-(fluoromethylsulfonyl)cyclohexan-1-amine?
The canonical SMILES for 3-(fluoromethylsulfonyl)cyclohexan-1-amine is NC1CCCC(S(=O)(=O)CF)C1.
What is the InChIKey of 3-(fluoromethylsulfonyl)cyclohexan-1-amine?
The InChIKey is SSBSPTMQCHDXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2S/c8-5-12(10,11)7-3-1-2-6(9)4-7/h6-7H,1-5,9H2.
What are the key properties of 3-(fluoromethylsulfonyl)cyclohexan-1-amine?
3-(fluoromethylsulfonyl)cyclohexan-1-amine has a molecular weight of 195.26 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethylsulfonyl)cyclohexan-1-amine is sourced from PubChem (CID 84720542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).