1-(1-cyclopentyl-1-fluoroethyl)sulfonyladamantane

C17H27FO2S — CID 159849858

IUPAC1-(1-cyclopentyl-1-fluoroethyl)sulfonyladamantane
SMILESCC(F)(C1CCCC1)S(=O)(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H27FO2S/c1-16(18,15-4-2-3-5-15)21(19,20)17-9-12-6-13(10-17)8-14(7-12)11-17/h12-15H,2-11H2,1H3
InChIKeyKZGXCKQYTMXMGO-UHFFFAOYSA-N
MW314.47 g/mol
LogP4.25
Rot. Bonds3

About 1-(1-cyclopentyl-1-fluoroethyl)sulfonyladamantane

1-(1-cyclopentyl-1-fluoroethyl)sulfonyladamantane (PubChem CID 159849858) has the molecular formula C17H27FO2S and a molecular weight of 314.47 g/mol. Its IUPAC name is 1-(1-cyclopentyl-1-fluoroethyl)sulfonyladamantane.

Molecular Properties

Compound Name1-(1-cyclopentyl-1-fluoroethyl)sulfonyladamantane
PubChem CID159849858
Molecular FormulaC17H27FO2S
Molecular Weight314.47 g/mol
Exact Mass314.17
IUPAC Name1-(1-cyclopentyl-1-fluoroethyl)sulfonyladamantane
SMILESCC(F)(C1CCCC1)S(=O)(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H27FO2S/c1-16(18,15-4-2-3-5-15)21(19,20)17-9-12-6-13(10-17)8-14(7-12)11-17/h12-15H,2-11H2,1H3
InChIKeyKZGXCKQYTMXMGO-UHFFFAOYSA-N
XLogP4.25
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentyl-1-fluoroethyl)sulfonyladamantane?
The IUPAC name of 1-(1-cyclopentyl-1-fluoroethyl)sulfonyladamantane (CID 159849858) is 1-(1-cyclopentyl-1-fluoroethyl)sulfonyladamantane.
What is the SMILES notation for 1-(1-cyclopentyl-1-fluoroethyl)sulfonyladamantane?
The canonical SMILES for 1-(1-cyclopentyl-1-fluoroethyl)sulfonyladamantane is CC(F)(C1CCCC1)S(=O)(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-cyclopentyl-1-fluoroethyl)sulfonyladamantane?
The InChIKey is KZGXCKQYTMXMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FO2S/c1-16(18,15-4-2-3-5-15)21(19,20)17-9-12-6-13(10-17)8-14(7-12)11-17/h12-15H,2-11H2,1H3.
What are the key properties of 1-(1-cyclopentyl-1-fluoroethyl)sulfonyladamantane?
1-(1-cyclopentyl-1-fluoroethyl)sulfonyladamantane has a molecular weight of 314.47 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentyl-1-fluoroethyl)sulfonyladamantane is sourced from PubChem (CID 159849858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).