2-(4-fluorophenyl)sulfonyl-N,4,4-trimethylcyclohexan-1-amine

C15H22FNO2S — CID 64640607

IUPAC2-(4-fluorophenyl)sulfonyl-N,4,4-trimethylcyclohexan-1-amine
SMILESCNC1CCC(C)(C)CC1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H22FNO2S/c1-15(2)9-8-13(17-3)14(10-15)20(18,19)12-6-4-11(16)5-7-12/h4-7,13-14,17H,8-10H2,1-3H3
InChIKeyORAZKEZKCXGQTA-UHFFFAOYSA-N
MW299.41 g/mol
LogP2.77
Rot. Bonds3

About 2-(4-fluorophenyl)sulfonyl-N,4,4-trimethylcyclohexan-1-amine

2-(4-fluorophenyl)sulfonyl-N,4,4-trimethylcyclohexan-1-amine (PubChem CID 64640607) has the molecular formula C15H22FNO2S and a molecular weight of 299.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfonyl-N,4,4-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfonyl-N,4,4-trimethylcyclohexan-1-amine
PubChem CID64640607
Molecular FormulaC15H22FNO2S
Molecular Weight299.41 g/mol
Exact Mass299.14
IUPAC Name2-(4-fluorophenyl)sulfonyl-N,4,4-trimethylcyclohexan-1-amine
SMILESCNC1CCC(C)(C)CC1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H22FNO2S/c1-15(2)9-8-13(17-3)14(10-15)20(18,19)12-6-4-11(16)5-7-12/h4-7,13-14,17H,8-10H2,1-3H3
InChIKeyORAZKEZKCXGQTA-UHFFFAOYSA-N
XLogP2.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfonyl-N,4,4-trimethylcyclohexan-1-amine?
The IUPAC name of 2-(4-fluorophenyl)sulfonyl-N,4,4-trimethylcyclohexan-1-amine (CID 64640607) is 2-(4-fluorophenyl)sulfonyl-N,4,4-trimethylcyclohexan-1-amine.
What is the SMILES notation for 2-(4-fluorophenyl)sulfonyl-N,4,4-trimethylcyclohexan-1-amine?
The canonical SMILES for 2-(4-fluorophenyl)sulfonyl-N,4,4-trimethylcyclohexan-1-amine is CNC1CCC(C)(C)CC1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfonyl-N,4,4-trimethylcyclohexan-1-amine?
The InChIKey is ORAZKEZKCXGQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2S/c1-15(2)9-8-13(17-3)14(10-15)20(18,19)12-6-4-11(16)5-7-12/h4-7,13-14,17H,8-10H2,1-3H3.
What are the key properties of 2-(4-fluorophenyl)sulfonyl-N,4,4-trimethylcyclohexan-1-amine?
2-(4-fluorophenyl)sulfonyl-N,4,4-trimethylcyclohexan-1-amine has a molecular weight of 299.41 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfonyl-N,4,4-trimethylcyclohexan-1-amine is sourced from PubChem (CID 64640607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).