4-ethyl-2-(4-fluorophenyl)sulfinyl-N-propylcyclohexan-1-amine

C17H26FNOS — CID 64657308

IUPAC4-ethyl-2-(4-fluorophenyl)sulfinyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(CC)CC1S(=O)c1ccc(F)cc1
InChIInChI=1S/C17H26FNOS/c1-3-11-19-16-10-5-13(4-2)12-17(16)21(20)15-8-6-14(18)7-9-15/h6-9,13,16-17,19H,3-5,10-12H2,1-2H3
InChIKeyHVBLQOXWNHFEEH-UHFFFAOYSA-N
MW311.47 g/mol
LogP3.88
Rot. Bonds6

About 4-ethyl-2-(4-fluorophenyl)sulfinyl-N-propylcyclohexan-1-amine

4-ethyl-2-(4-fluorophenyl)sulfinyl-N-propylcyclohexan-1-amine (PubChem CID 64657308) has the molecular formula C17H26FNOS and a molecular weight of 311.47 g/mol. Its IUPAC name is 4-ethyl-2-(4-fluorophenyl)sulfinyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-2-(4-fluorophenyl)sulfinyl-N-propylcyclohexan-1-amine
PubChem CID64657308
Molecular FormulaC17H26FNOS
Molecular Weight311.47 g/mol
Exact Mass311.17
IUPAC Name4-ethyl-2-(4-fluorophenyl)sulfinyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(CC)CC1S(=O)c1ccc(F)cc1
InChIInChI=1S/C17H26FNOS/c1-3-11-19-16-10-5-13(4-2)12-17(16)21(20)15-8-6-14(18)7-9-15/h6-9,13,16-17,19H,3-5,10-12H2,1-2H3
InChIKeyHVBLQOXWNHFEEH-UHFFFAOYSA-N
XLogP3.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(4-fluorophenyl)sulfinyl-N-propylcyclohexan-1-amine?
The IUPAC name of 4-ethyl-2-(4-fluorophenyl)sulfinyl-N-propylcyclohexan-1-amine (CID 64657308) is 4-ethyl-2-(4-fluorophenyl)sulfinyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-2-(4-fluorophenyl)sulfinyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 4-ethyl-2-(4-fluorophenyl)sulfinyl-N-propylcyclohexan-1-amine is CCCNC1CCC(CC)CC1S(=O)c1ccc(F)cc1.
What is the InChIKey of 4-ethyl-2-(4-fluorophenyl)sulfinyl-N-propylcyclohexan-1-amine?
The InChIKey is HVBLQOXWNHFEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNOS/c1-3-11-19-16-10-5-13(4-2)12-17(16)21(20)15-8-6-14(18)7-9-15/h6-9,13,16-17,19H,3-5,10-12H2,1-2H3.
What are the key properties of 4-ethyl-2-(4-fluorophenyl)sulfinyl-N-propylcyclohexan-1-amine?
4-ethyl-2-(4-fluorophenyl)sulfinyl-N-propylcyclohexan-1-amine has a molecular weight of 311.47 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(4-fluorophenyl)sulfinyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 64657308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).