N-ethyl-2-(4-fluorophenyl)sulfonyl-4,4-dimethylcyclohexan-1-amine

C16H24FNO2S — CID 64640018

IUPACN-ethyl-2-(4-fluorophenyl)sulfonyl-4,4-dimethylcyclohexan-1-amine
SMILESCCNC1CCC(C)(C)CC1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H24FNO2S/c1-4-18-14-9-10-16(2,3)11-15(14)21(19,20)13-7-5-12(17)6-8-13/h5-8,14-15,18H,4,9-11H2,1-3H3
InChIKeyMWARLCFJQHIDBM-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.16
Rot. Bonds4

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

N-ethyl-2-(4-fluorophenyl)sulfonyl-4,4-dimethylcyclohexan-1-amine (PubChem CID 64640018) has the molecular formula C16H24FNO2S and a molecular weight of 313.44 g/mol. Its IUPAC name is N-ethyl-2-(4-fluorophenyl)sulfonyl-4,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(4-fluorophenyl)sulfonyl-4,4-dimethylcyclohexan-1-amine
PubChem CID64640018
Molecular FormulaC16H24FNO2S
Molecular Weight313.44 g/mol
Exact Mass313.15
IUPAC NameN-ethyl-2-(4-fluorophenyl)sulfonyl-4,4-dimethylcyclohexan-1-amine
SMILESCCNC1CCC(C)(C)CC1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H24FNO2S/c1-4-18-14-9-10-16(2,3)11-15(14)21(19,20)13-7-5-12(17)6-8-13/h5-8,14-15,18H,4,9-11H2,1-3H3
InChIKeyMWARLCFJQHIDBM-UHFFFAOYSA-N
XLogP3.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-fluorophenyl)sulfonyl-4,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-ethyl-2-(4-fluorophenyl)sulfonyl-4,4-dimethylcyclohexan-1-amine (CID 64640018) is N-ethyl-2-(4-fluorophenyl)sulfonyl-4,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-ethyl-2-(4-fluorophenyl)sulfonyl-4,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-ethyl-2-(4-fluorophenyl)sulfonyl-4,4-dimethylcyclohexan-1-amine is CCNC1CCC(C)(C)CC1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-2-(4-fluorophenyl)sulfonyl-4,4-dimethylcyclohexan-1-amine?
The InChIKey is MWARLCFJQHIDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2S/c1-4-18-14-9-10-16(2,3)11-15(14)21(19,20)13-7-5-12(17)6-8-13/h5-8,14-15,18H,4,9-11H2,1-3H3.
What are the key properties of N-ethyl-2-(4-fluorophenyl)sulfonyl-4,4-dimethylcyclohexan-1-amine?
N-ethyl-2-(4-fluorophenyl)sulfonyl-4,4-dimethylcyclohexan-1-amine has a molecular weight of 313.44 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-fluorophenyl)sulfonyl-4,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64640018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).