3-(4-fluorophenyl)sulfonyl-2-methylcyclopentan-1-amine

C12H16FNO2S — CID 64904071

IUPAC3-(4-fluorophenyl)sulfonyl-2-methylcyclopentan-1-amine
SMILESCC1C(N)CCC1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO2S/c1-8-11(14)6-7-12(8)17(15,16)10-4-2-9(13)3-5-10/h2-5,8,11-12H,6-7,14H2,1H3
InChIKeyMXRTYSRYLWWQCL-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.73
Rot. Bonds2

About 3-(4-fluorophenyl)sulfonyl-2-methylcyclopentan-1-amine

3-(4-fluorophenyl)sulfonyl-2-methylcyclopentan-1-amine (PubChem CID 64904071) has the molecular formula C12H16FNO2S and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfonyl-2-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfonyl-2-methylcyclopentan-1-amine
PubChem CID64904071
Molecular FormulaC12H16FNO2S
Molecular Weight257.33 g/mol
Exact Mass257.09
IUPAC Name3-(4-fluorophenyl)sulfonyl-2-methylcyclopentan-1-amine
SMILESCC1C(N)CCC1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO2S/c1-8-11(14)6-7-12(8)17(15,16)10-4-2-9(13)3-5-10/h2-5,8,11-12H,6-7,14H2,1H3
InChIKeyMXRTYSRYLWWQCL-UHFFFAOYSA-N
XLogP1.73
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfonyl-2-methylcyclopentan-1-amine?
The IUPAC name of 3-(4-fluorophenyl)sulfonyl-2-methylcyclopentan-1-amine (CID 64904071) is 3-(4-fluorophenyl)sulfonyl-2-methylcyclopentan-1-amine.
What is the SMILES notation for 3-(4-fluorophenyl)sulfonyl-2-methylcyclopentan-1-amine?
The canonical SMILES for 3-(4-fluorophenyl)sulfonyl-2-methylcyclopentan-1-amine is CC1C(N)CCC1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)sulfonyl-2-methylcyclopentan-1-amine?
The InChIKey is MXRTYSRYLWWQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2S/c1-8-11(14)6-7-12(8)17(15,16)10-4-2-9(13)3-5-10/h2-5,8,11-12H,6-7,14H2,1H3.
What are the key properties of 3-(4-fluorophenyl)sulfonyl-2-methylcyclopentan-1-amine?
3-(4-fluorophenyl)sulfonyl-2-methylcyclopentan-1-amine has a molecular weight of 257.33 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfonyl-2-methylcyclopentan-1-amine is sourced from PubChem (CID 64904071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).