3-(4-fluorophenyl)-N-(3-methylsulfonylpropyl)cyclobutan-1-amine

C14H20FNO2S — CID 54904499

IUPAC3-(4-fluorophenyl)-N-(3-methylsulfonylpropyl)cyclobutan-1-amine
SMILESCS(=O)(=O)CCCNC1CC(c2ccc(F)cc2)C1
InChIInChI=1S/C14H20FNO2S/c1-19(17,18)8-2-7-16-14-9-12(10-14)11-3-5-13(15)6-4-11/h3-6,12,14,16H,2,7-10H2,1H3
InChIKeyDTXBALIGHNDFDG-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.10
Rot. Bonds6

About 3-(4-fluorophenyl)-N-(3-methylsulfonylpropyl)cyclobutan-1-amine

3-(4-fluorophenyl)-N-(3-methylsulfonylpropyl)cyclobutan-1-amine (PubChem CID 54904499) has the molecular formula C14H20FNO2S and a molecular weight of 285.38 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(3-methylsulfonylpropyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(3-methylsulfonylpropyl)cyclobutan-1-amine
PubChem CID54904499
Molecular FormulaC14H20FNO2S
Molecular Weight285.38 g/mol
Exact Mass285.12
IUPAC Name3-(4-fluorophenyl)-N-(3-methylsulfonylpropyl)cyclobutan-1-amine
SMILESCS(=O)(=O)CCCNC1CC(c2ccc(F)cc2)C1
InChIInChI=1S/C14H20FNO2S/c1-19(17,18)8-2-7-16-14-9-12(10-14)11-3-5-13(15)6-4-11/h3-6,12,14,16H,2,7-10H2,1H3
InChIKeyDTXBALIGHNDFDG-UHFFFAOYSA-N
XLogP2.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-fluorophenyl)cyclobutyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 55097606
3-(4-fluorophenyl)-N-pent-3-ynylcyclobutan-1-amine
CID 116642832
2-[[3-(4-fluorophenyl)cyclobutyl]amino]acetic acid
CID 43635152
N-methyl-2-[(3-phenylcyclobutyl)amino]ethanesulfonamide
CID 102676035
3-(4-fluorophenyl)-N-(2,3,3-trimethylbutyl)cyclobutan-1-amine
CID 83143109
ethyl 2-[[3-(4-fluorophenyl)cyclobutyl]amino]acetate
CID 60811082
N-(2,3-dimethylbutyl)-3-(4-fluorophenyl)cyclobutan-1-amine
CID 64568470
3-(4-fluorophenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
CID 63242564
4-fluoro-N-(3-methylsulfonylpropyl)benzenesulfonamide
CID 47298915
N-butyl-3-(4-methylphenyl)cyclobutan-1-amine
CID 43633076
N-[2-(4-fluorophenyl)ethyl]-3-phenylcyclobutan-1-amine
CID 43632093
3-(4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]cyclobutan-1-amine
CID 78952785

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(3-methylsulfonylpropyl)cyclobutan-1-amine?
The IUPAC name of 3-(4-fluorophenyl)-N-(3-methylsulfonylpropyl)cyclobutan-1-amine (CID 54904499) is 3-(4-fluorophenyl)-N-(3-methylsulfonylpropyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(3-methylsulfonylpropyl)cyclobutan-1-amine?
The canonical SMILES for 3-(4-fluorophenyl)-N-(3-methylsulfonylpropyl)cyclobutan-1-amine is CS(=O)(=O)CCCNC1CC(c2ccc(F)cc2)C1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(3-methylsulfonylpropyl)cyclobutan-1-amine?
The InChIKey is DTXBALIGHNDFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2S/c1-19(17,18)8-2-7-16-14-9-12(10-14)11-3-5-13(15)6-4-11/h3-6,12,14,16H,2,7-10H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-N-(3-methylsulfonylpropyl)cyclobutan-1-amine?
3-(4-fluorophenyl)-N-(3-methylsulfonylpropyl)cyclobutan-1-amine has a molecular weight of 285.38 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(3-methylsulfonylpropyl)cyclobutan-1-amine is sourced from PubChem (CID 54904499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).